4-(3-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid
Chemical Structure Depiction of
4-(3-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid
4-(3-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid
Compound characteristics
Compound ID: | 8009-7340 |
Compound Name: | 4-(3-bromophenyl)-1-chloro-2-[(2-nitrophenyl)sulfanyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-6-carboxylic acid |
Molecular Weight: | 559.87 |
Molecular Formula: | C25 H20 Br Cl N2 O4 S |
Smiles: | C1C2C(C(C1Sc1ccccc1[N+]([O-])=O)[Cl])c1cccc(C(O)=O)c1NC2c1cccc(c1)[Br] |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 6.7752 |
logD: | 4.3075 |
logSw: | -5.8554 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 71.287 |
InChI Key: | XAXWAUYMIPGHTD-UHFFFAOYSA-N |