Basic information
- Standard SMILES
COc1cc(-c2ccc3c(c2)Nc2ccc(CCOc4ccc(Cl)nc4)cc2NC3=O)ccc1[N+](=O)[O-]- InChIKey
MFWSBIMCRORHMR-UHFFFAOYSA-N- Molecular formula
- C27H21ClN4O5
- Average molar mass
- 516.9 g/mol
Names & identifiers
- Preferred name
- 8-{2-[(6-Chloropyridin-3-yl)oxy]ethyl}-3-(3-methoxy-4-nitrophenyl)-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
- IUPAC
- 3-[2-[(6-chloro-3-pyridinyl)oxy]ethyl]-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
Names & synonyms
SCHEMBL4853941MFWSBIMCRORHMR-UHFFFAOYSA-N8-{2-[(6-chloropyridin-3-yl)oxy]ethyl}-3-(3-methoxy-4-nitrophenyl)-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
Database identifiers
- PubChem CID
- 87737896
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 799
Related reactions
1 records
Compound notes
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