Basic information
- CAS
258849-90-0- Standard SMILES
C[C@H]1C(=O)Nc2ccc(Cl)cc2CN1Cc1ccccc1- InChIKey
ZHGVXMLALDQOSN-LBPRGKRZSA-N- Molecular formula
- C17H17ClN2O
- Average molar mass
- 300.8 g/mol
- Monoisotopic mass
- 300.1029409
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-3-methyl-4-(phenylmethyl)-, (3S)-
- IUPAC
- (3S)-4-benzyl-7-chloro-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
258849-90-02H-1,4-Benzodiazepin-2-one, 7-chloro-1,3,4,5-tetrahydro-3-methyl-4-(phenylmethyl)-, (3S)-(S)-7-Chloro-3-methyl-4-(3-benzyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one(3s)-4-benzyl-7-chloro-3-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-oneDTXSID20180530(3S)-4-benzyl-7-chloro-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
258849-90-0- PubChem CID
- 475615
- DTXSID
DTXSID20180530
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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