2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-
Basic information
- CAS
27090-86-4- Standard SMILES
CCCOC1=NCC(=O)N(C)c2ccc(Cl)cc21- InChIKey
SRIAAJDXRCKFCG-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O2
- Average molar mass
- 266.72 g/mol
- Monoisotopic mass
- 266.0822054
Names & identifiers
- Preferred name
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-
- IUPAC
- 7-chloro-1-methyl-5-propoxy-3H-1,4-benzodiazepin-2-one
Names & synonyms
BRN 07529422H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-methyl-5-propoxy-27090-86-4DTXSID501815551,3-Dihydro-7-chloro-1-methyl-5-propoxy-2H-1,4-benzodiazepin-2-one5-25-02-00008 (Beilstein Handbook Reference)RefChem:267881DTXCID901040467-chloro-1-methyl-5-propoxy-1,3-dihydro-2h-1,4-benzodiazepin-2-oneCHEMBL3277014
Database identifiers
- CAS
27090-86-4- PubChem CID
- 213817
- DTXSID
DTXSID50181555- ChEMBL
CHEMBL3277014
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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