3H-1,4-Benzodiazepin-2(1H)-one, 8-chloro-5-ethoxy-1-methyl-
Basic information
- CAS
62903-63-3- Standard SMILES
CCOC1=NCC(=O)N(C)c2cc(Cl)ccc21- InChIKey
IWIXUGIGEIUOCQ-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O2
- Average molar mass
- 252.69 g/mol
- Monoisotopic mass
- 252.0665554
Names & identifiers
- Preferred name
- 3H-1,4-Benzodiazepin-2(1H)-one, 8-chloro-5-ethoxy-1-methyl-
- IUPAC
- 8-chloro-5-ethoxy-1-methyl-3H-1,4-benzodiazepin-2-one
- English name
- 8-Chloro-5-ethoxy-1-methyl-1H-1,4-benzodiazepin-2(3H)-one
- Molecular formula
- C12H13ClN2O2
- Molecular weight
- 252.7
Names & synonyms
62903-63-33H-1,4-BENZODIAZEPIN-2(1H)-ONE, 8-CHLORO-5-ETHOXY-1-METHYL-BRN 06639178-Chloro-5-ethoxy-1-methyl-3H-1,4-benzodiazepin-2(1H)-oneCHEMBL3277023DTXSID202120878-Chloro-5-ethoxy-1-methyl-1H-1,4-benzodiazepin-2(3H)-oneDB-3074658-chloro-5-ethoxy-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 8-chloro-5-ethoxy-1,3-dihydro-1-methyl-
Database identifiers
- CAS
62903-63-3- PubChem CID
- 44194
- DTXSID
DTXSID20212087- ChEMBL
CHEMBL3277023- Nikkaji
- J69.306E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…