chempirical

Coh-29

C22H16N2O5SCAS 1190932-38-7420.44 g/mol

Open in Covalent MOL file
NSNHOHOHOOHOH
AmidePhenol

Properties

Molecular formula
C22H16N2O5S
Molar mass
420.44 g/mol
Exact mass
420.0780 Da
logP
4.55Crippen estimate
Polar surface area
122.9 Ų
H-bond donors / acceptors
5 / 7
Rotatable bonds
4

Identifiers

CAS number
1190932-38-7
SMILES
C1=CC=C(C=C1)C2=C(N=C(S2)NC(=O)C3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O
InChIKey
LGGDLPSXAGQFSG-UHFFFAOYSA-N
InChI
InChI=1S/C22H16N2O5S/c25-15-8-6-13(10-17(15)27)19-20(12-4-2-1-3-5-12)30-22(23-19)24-21(29)14-7-9-16(26)18(28)11-14/h1-11,25-28H,(H,23,24,29)

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Names and synonyms

1 names
  • Rnr inhibitor COH29

Work with Coh-29

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

3,4-Dihydroxybenzophenone10425-11-339 % similar 2-Methyl-4,5-diphenylthiazole3755-83-735 % similar 3′,4′-Dihydroxyacetophenone1197-09-733 % similar p-Phenylbenzoic acid hydrazide18622-23-632 % similar Methyl 3,4-dihydroxybenzoate2150-43-831 % similar 3′,4′-Dihydroxypropiophenone7451-98-131 % similar 2-Chloro-3′,4′-dihydroxyacetophenone99-40-131 % similar Maclurin519-34-630 % similar

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

Elsewhere

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