(S)-2-(2-Aminophenylamino)-8-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
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Basic information
- Standard SMILES
CC1(C)OC[C@H](COc2ccc3c(c2)CCc2cc(Nc4ccccc4N)ccc2C3=O)O1- InChIKey
HZALJZIIPRDRDR-NRFANRHFSA-N- Molecular formula
- C27H28N2O4
- Average molar mass
- 444.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-(2-Aminophenylamino)-8-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
- IUPAC
- 6-(2-aminoanilino)-13-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
Names & synonyms
CHEMBL2152963SCHEMBL2313572HZALJZIIPRDRDR-NRFANRHFSA-NBDBM50392193(S)-2-(2-amino-phenylamino)-8-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-10,11-dihydrodibenzo[a,d]cyclohepten-5-one(S)-2-(2-Aminophenylamino)-8-(2,2-dimethyl-[1,3]dioxolan-4-ylmethoxy)-10,11-dihydrodibenzo[a,d]cyclohepten-5-one
Database identifiers
- PubChem CID
- 45280586
- ChEMBL
CHEMBL2152963
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 685
Related reactions
2 records
Compound notes
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