11-(3,4-Dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-3-(2-methoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one
Basic information
- CAS
879047-51-5- Standard SMILES
COc1ccc(C2Nc3ccccc3NC3=C2C(=O)CC(c2ccccc2OC)C3)cc1OC- InChIKey
RVFWRDNCDSWGBC-UHFFFAOYSA-N- Molecular formula
- C28H28N2O4
- Average molar mass
- 456.5 g/mol
- Monoisotopic mass
- 456.20490738
Names & identifiers
- Preferred name
- 11-(3,4-Dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-3-(2-methoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one
- IUPAC
- 6-(3,4-dimethoxyphenyl)-9-(2-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Names & synonyms
11-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneDTXSID801111616STK407666AKOS00076852111-(3,4-Dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-3-(2-methoxyphenyl)-1H-dibenzo[b,e][1,4]diazepin-1-one879047-51-5ST5038198711-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-2,3,4-trihydro-5H,10H,11H-benzo[b ]benzo[2,1-f]1,4-diazepin-1-one
Database identifiers
- CAS
879047-51-5- PubChem CID
- 6499286
- DTXSID
DTXSID801111616
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 755
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…