Cefprozil hydrate

C₁₈H₂₁N₃O₆SCAS 121123-17-9407.44 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Phenol Primary amine Sulfide

Properties

Molecular formula: C₁₈H₂₁N₃O₆S
Molar mass: 407.44 g/mol
Exact mass: 407.1151 Da
logP: -0.12Crippen estimate
Polar surface area: 164.5 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 5
Stereocentres: R, R, Rin SMILES atom order
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

121123-17-9

SMILES

C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)SC1)C(=O)O.O

InChIKey

ALYUMNAHLSSTOU-CIRGZYLNSA-N

InChI

InChI=1S/C18H19N3O5S.H2O/c1-2-3-10-8-27-17-13(16(24)21(17)14(10)18(25)26)20-15(23)12(19)9-4-6-11(22)7-5-9;/h2-7,12-13,17,22H,8,19H2,1H3,(H,20,23)(H,25,26);1H2/b3-2+;/t12-,13-,17-;/m1./s1

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Work with Cefprozil hydrate

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

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

Elsewhere

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