chempirical

Wye-354

C24H29N7O5CAS 1062169-56-5495.54 g/mol

Open in Covalent MOL file
OOHNNNNNOONNO
CarbamateEtherTertiary amine

Properties

Molecular formula
C24H29N7O5
Molar mass
495.54 g/mol
Exact mass
495.2230 Da
logP
2.91Crippen estimate
Polar surface area
123.9 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1062169-56-5
SMILES
COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)C(=O)OC)C(=N2)N5CCOCC5
InChIKey
IMXHGCRIEAKIBU-UHFFFAOYSA-N
InChI
InChI=1S/C24H29N7O5/c1-34-23(32)26-17-5-3-16(4-6-17)20-27-21(29-11-13-36-14-12-29)19-15-25-31(22(19)28-20)18-7-9-30(10-8-18)24(33)35-2/h3-6,15,18H,7-14H2,1-2H3,(H,26,32)

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Work with Wye-354

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

Gedatolisib1197160-78-338 % similar Methyl N-(p-tolyl)carbamate5602-96-030 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook