2H-1,4-Benzodiazepin-2-one, 7-chloro-4-(2-furanylmethyl)-1,3,4,5-tetrahydro-3-methyl-, (3S)-
Basic information
- CAS
258849-91-1- Standard SMILES
C[C@H]1C(=O)Nc2ccc(Cl)cc2CN1Cc1ccco1- InChIKey
LJBXLEFQGRIHAU-JTQLQIEISA-N- Molecular formula
- C15H15ClN2O2
- Average molar mass
- 290.74 g/mol
- Monoisotopic mass
- 290.0822054
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-4-(2-furanylmethyl)-1,3,4,5-tetrahydro-3-methyl-, (3S)-
- IUPAC
- (3S)-7-chloro-4-(furan-2-ylmethyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
258849-91-12H-1,4-Benzodiazepin-2-one, 7-chloro-4-(2-furanylmethyl)-1,3,4,5-tetrahydro-3-methyl-, (3S)-(S)-7-Chloro-4-furan-2-ylmethyl-3-methyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-oneDTXSID80180531(3S)-7-chloro-4-(2-furylmethyl)-3-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one(3S)-7-Chloro-4-[(furan-2-yl)methyl]-3-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Database identifiers
- CAS
258849-91-1- PubChem CID
- 475616
- DTXSID
DTXSID80180531
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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