chempirical

Olanzapine thiolactam impurity

C17H20N4OSCAS 1017241-36-9328.43 g/mol

Open in Covalent MOL file
NNSNNHO
AlkeneTertiary amine

Properties

Molecular formula
C17H20N4OS
Molar mass
328.43 g/mol
Exact mass
328.1358 Da
logP
3.03Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
2

Identifiers

CAS number
1017241-36-9
SMILES
CC(=CC1=C(N=C2C=CC=CC2=NC1=S)N3CCN(CC3)C)O
InChIKey
FGFJFJPSKUZRCI-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N4OS/c1-12(22)11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)23/h3-6,11,22H,7-10H2,1-2H3

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Work with Olanzapine thiolactam impurity

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

4-(2-Methylphenyl)-6-(4-methyl-1-piperazinyl)-3-pyridinecarboxamide342417-01-032 % similar [2-(4-Methylpiperazin-1-yl)phenyl]methanol123987-12-231 % similar Emedastine difumarate87233-62-331 % similar 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-630 % similar

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

Elsewhere

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