Basic information
- CAS
1668-66-2- Standard SMILES
COc1ccc2c(c1)N(CCN(C)C)C(=O)c1ccccc1N2- InChIKey
ZELWYXSIOKOBDF-UHFFFAOYSA-N- Molecular formula
- C18H21N3O2
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.16337692
Names & identifiers
- Preferred name
- 10,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-8-methoxy-
- IUPAC
- 5-[2-(dimethylamino)ethyl]-3-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one
- English name
- 10,11-Dihydro-10-[2-(dimethylamino)ethyl]-8-methoxy-5H-dibenzo[b,e][1,4]diazepin-11-one
- Molecular formula
- C18H21N3O2
- Molecular weight
- 311.38
Names & synonyms
1668-66-210,11-Dihydro-11-oxo-5H-dibenzo(b,e)(1,4)diazepine, 10-(2-(dimethylamino)ethyl)-8-methoxy-BRN 08982085-[2-(dimethylamino)ethyl]-3-methoxy-11H-benzo[b][1,4]benzodiazepin-6-one5H-Dibenzo(b,e)(1,4)diazepin-11-one, 10,11-dihydro-10-(2-(dimethylamino)ethyl)-8-methoxy-DTXSID2093724310,11-Dihydro-10-[2-(dimethylamino)ethyl]-8-methoxy-5H-dibenzo[b,e][1,4]diazepin-11-one10-[2-(Dimethylamino)ethyl]-8-methoxy-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one10-(2-dimethylamino-ethyl)-8-methoxy-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one11H-Dibenzo[b,e][1,4]diazepin-11-one, 10-[2-(dimethylamino)ethyl]-5,10-dihydro-8-methoxy-
Database identifiers
- CAS
1668-66-2- PubChem CID
- 15467
- DTXSID
DTXSID20937243- Nikkaji
- J72.851I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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