7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester

C₂₀H₁₈N₂O₃SCAS 36923-21-4366.44 g/mol

Open in Covalent MOL file

Alkene Amide Ester Lactam Primary amine Sulfide

Properties

Molecular formula: C₂₀H₁₈N₂O₃S
Molar mass: 366.44 g/mol
Exact mass: 366.1038 Da
logP: 2.45Crippen estimate
Polar surface area: 72.6 Å²
H-bond donors / acceptors: 1 / 5
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

36923-21-4

SMILES

C1C=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChIKey

NYYBPASOTOAXQW-UHFFFAOYSA-N

InChI

InChI=1S/C20H18N2O3S/c21-16-18(23)22-15(11-12-26-19(16)22)20(24)25-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16-17,19H,12,21H2

Weigh it out

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

Work with 7-Amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid diphenylmethyl ester

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

7-Amino-3-cephem-4-carboxylic acid36923-17-852 % similar Gclh64308-63-042 % similar Diphenylmethyl (6R,7R)-3-hydroxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate54639-48-441 % similar Flomoxef impurity 472591-95-836 % similar 7-Mac56610-72-135 % similar p-Methoxybenzyl 7β-amino-3-(chloromethyl)-3-cephem-4-carboxylate hydrochloride113479-65-533 % similar (6R,7R)-7-Amino-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid79349-82-932 % similar (6R,7R)-7-Amino-8-oxo-3-(1-propen-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid120709-09-331 % similar

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

Same formula

Hmn 154173528-92-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook