Basic information
- Standard SMILES
Cc1nc2c(n1C)C=Cc1cc(Cl)ccc1C2c1cn(C)c(=O)[nH]c1=S- InChIKey
CBQYUGIYENDGCV-UHFFFAOYSA-N- Molecular formula
- C19H17ClN4OS
- Average molar mass
- 384.9 g/mol
Names & identifiers
- Preferred name
- (+/-)-5-(7-Chloro-1,2-dimethyl-4H-benzo[5,6]cyclohepta[1,2-d]imidazol-4-yl)-1-methyl-3,4-dihydro-4-thioxo-2(1H)-pyrimidinone
- IUPAC
- 5-(12-chloro-5,6-dimethyl-4,6-diazatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-yl)-1-methyl-4-sulfanylidenepyrimidin-2-one
Names & synonyms
SCHEMBL7502047CBQYUGIYENDGCV-UHFFFAOYSA-N(+/-)-5-(7-Chloro-1,2-dimethyl-4H-benzo[5,6]cyclohepta[1,2-d]imidazol-4-yl)-1-methyl-3,4-dihydro-4-thioxo-2(1H)-pyrimidinone
Database identifiers
- PubChem CID
- 9864902
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 680
Related reactions
1 records
Compound notes
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