7-methyl-5-phenyl-4-(thiophene-2-carbonyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
Basic information
- CAS
5628-01-3- Standard SMILES
Cc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1cccs1)CC(=O)N2- InChIKey
NVNSPIDQBUQSNV-UHFFFAOYSA-N- Molecular formula
- C21H18N2O2S
- Average molar mass
- 362.4 g/mol
- Monoisotopic mass
- 362.10889899
Names & identifiers
- Preferred name
- 7-methyl-5-phenyl-4-(thiophene-2-carbonyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-one
- IUPAC
- 7-methyl-5-phenyl-4-(thiophene-2-carbonyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
Names & synonyms
5628-01-3Oprea1_710996SCHEMBL22378023DTXSID309717147-methyl-5-phenyl-4-(thiophene-2-carbonyl)-4,5-dihydro-1H-benzo[e][1,4]diazepin-2(3H)-oneSR-01000398523SR-01000398523-1F1596-0084(2-Hydroxy-7-methyl-5-phenyl-3,5-dihydro-4H-1,4-benzodiazepin-4-yl)(thiophen-2-yl)methanone
Database identifiers
- CAS
5628-01-3- PubChem CID
- 5221606
- DTXSID
DTXSID30971714
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 534
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…