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Basic information
- Standard SMILES
OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCc3ccccc3CN21- InChIKey
DGLUIONDYMRDKN-UHFFFAOYSA-N- Molecular formula
- C22H17ClN2O
- Average molar mass
- 360.8 g/mol
- Monoisotopic mass
- 360.1029409
Names & identifiers
- Preferred name
- 13-(4-Chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-ol
- IUPAC
- 13-(4-chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-ol
Names & synonyms
NSC700417CHEMBL44147713-(4-chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-olNSC-700417NCI60_03604111H-Isoindolo[2,1-b][2,4]benzodiazepin-13-ol, 13-(4-chlorophenyl)-6,13-dihydro-
Database identifiers
- PubChem CID
- 395635
- ChEMBL
CHEMBL441477
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 558
Related reactions
0 records
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Compound notes
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