Basic information
- CAS
258849-88-6- Standard SMILES
C[C@H]1C(=O)Nc2ccc(Cl)cc2CN1CC1CC1- InChIKey
YNBRKNNMOAHXMY-VIFPVBQESA-N- Molecular formula
- C14H17ClN2O
- Average molar mass
- 264.75 g/mol
- Monoisotopic mass
- 264.1029409
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-4-(cyclopropylmethyl)-1,3,4,5-tetrahydro-3-methyl-, (3S)-
- IUPAC
- (3S)-7-chloro-4-(cyclopropylmethyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
258849-88-62H-1,4-Benzodiazepin-2-one, 7-chloro-4-(cyclopropylmethyl)-1,3,4,5-tetrahydro-3-methyl-, (3S)-(S)-7-Chloro-3-methyl-4-(3-cyclopropylmethyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one(3s)-7-chloro-4-(cyclopropylmethyl)-3-methyl-1,3,4,5-tetrahydro-2h-1,4-benzodiazepin-2-oneDTXSID50180528(3S)-7-chloro-4-(cyclopropylmethyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
258849-88-6- PubChem CID
- 475613
- DTXSID
DTXSID50180528
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…