chempirical

Iscotrizinol

C44H59N7O5CAS 154702-15-5766.00 g/mol

Open in Covalent MOL file
OONHNNHOHNNNHOON
AmideEsterSecondary amine

Properties

Molecular formula
C44H59N7O5
Molar mass
766.00 g/mol
Exact mass
765.4578 Da
logP
10.38Crippen estimate
Polar surface area
156.5 Ų
H-bond donors / acceptors
4 / 11
Rotatable bonds
21

Identifiers

CAS number
154702-15-5
SMILES
CCCCC(CC)COC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)NC(C)(C)C)cc3)nc(Nc3ccc(C(=O)OCC(CC)CCCC)cc3)n2)cc1
InChIKey
OSCJHTSDLYVCQC-UHFFFAOYSA-N
InChI
InChI=1S/C44H59N7O5/c1-8-12-14-30(10-3)28-55-39(53)33-18-24-36(25-19-33)46-42-48-41(45-35-22-16-32(17-23-35)38(52)51-44(5,6)7)49-43(50-42)47-37-26-20-34(21-27-37)40(54)56-29-31(11-4)15-13-9-2/h16-27,30-31H,8-15,28-29H2,1-7H3,(H,51,52)(H3,45,46,47,48,49,50)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 4,4′-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-, 1,1′-bis(2-ethylhexyl) ester
  • Benzoic acid, 4,4′-[[6-[[4-[[(1,1-dimethylethyl)amino]carbonyl]phenyl]amino]-1,3,5-triazine-2,4-diyl]diimino]bis-, bis(2-ethylhexyl) ester
  • Dioctylbutamidotriazone
  • Uvasorb HEB
  • Diethylhexyl butamido triazone

Work with Iscotrizinol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethylhexyl triazone88122-99-080 % similar Bis(2-ethylhexyl) terephthalate6422-86-259 % similar 2-Ethylhexyl P-aminobenzoate26218-04-253 % similar 2-Ethylhexyl 4-hydroxybenzoate5153-25-353 % similar Padimate O21245-02-352 % similar Trioctyl trimellitate3319-31-150 % similar Bis(2-ethylhexyl) phthalate117-81-747 % similar 2-Ethylhexyl salicylate118-60-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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