2-chloro-5-[5-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
2-chloro-5-[5-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)furan-2-yl]benzoic acid
2-chloro-5-[5-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)furan-2-yl]benzoic acid
Compound characteristics
Compound ID: | 8002-0551 |
Compound Name: | 2-chloro-5-[5-(2,2-dimethyl-4-oxo-1,2,3,4,5,6-hexahydrobenzo[a]phenanthridin-5-yl)furan-2-yl]benzoic acid |
Molecular Weight: | 497.98 |
Molecular Formula: | C30 H24 Cl N O4 |
Smiles: | CC1(C)CC2=C(C(c3ccc(c4ccc(c(c4)C(O)=O)[Cl])o3)Nc3ccc4ccccc4c23)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 7.0148 |
logD: | 2.5845 |
logSw: | -6.1977 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 61.739 |
InChI Key: | JAUBSRHJUJJEPL-NDEPHWFRSA-N |