Basic information
- Standard SMILES
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@]1(C[C@@H]1C)C(=O)N2- InChIKey
WPMGYYSACBPHFI-NIVTXAMTSA-N- Molecular formula
- C18H17ClN2OS
- Average molar mass
- 344.9 g/mol
- Monoisotopic mass
- 344.075012
Names & identifiers
- Preferred name
- (1R,2S)-5'-(4-chlorophenyl)-2,6',7'-trimethylspiro[cyclopropane-1,3'-thieno[2,3-e][1,4]diazepin]-2'(1'H)-one
- IUPAC
- (2'S,3R)-5-(4-chlorophenyl)-2',6,7-trimethylspiro[1H-thieno[2,3-e][1,4]diazepine-3,1'-cyclopropane]-2-one
Names & synonyms
SCHEMBL9886451WPMGYYSACBPHFI-NIVTXAMTSA-N(1R,2S)-5'-(4-chlorophenyl)-2,6',7'-trimethylspiro[cyclopropane-1,3'-thieno[2,3-e][1,4]diazepin]-2'(1'H)-one
Database identifiers
- PubChem CID
- 136338067
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 545
Related reactions
2 records
Compound notes
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