(R)-2-(2-Aminophenylamino)-8-(2,3-dihydroxypropoxy)-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
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Basic information
- Standard SMILES
Nc1ccccc1Nc1ccc2c(c1)CCc1cc(OC[C@H](O)CO)ccc1C2=O- InChIKey
JMLGHHJFDZQXGM-GOSISDBHSA-N- Molecular formula
- C24H24N2O4
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- (R)-2-(2-Aminophenylamino)-8-(2,3-dihydroxypropoxy)-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
- IUPAC
- 6-(2-aminoanilino)-13-[(2R)-2,3-dihydroxypropoxy]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
Names & synonyms
CHEMBL2152964SCHEMBL2318463SCHEMBL30335759JMLGHHJFDZQXGM-GOSISDBHSA-NBDBM50392194(R)-2-(2-Aminophenylamino)-8-(2,3-dihydroxypropoxy)-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
Database identifiers
- PubChem CID
- 45280587
- ChEMBL
CHEMBL2152964
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 573
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Related reactions
1 records
Compound notes
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