methyl 4-chloro-5-[2-phenyl-2-(pyrrolidin-1-yl)ethanesulfonyl]-2-(pyrrolidin-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-chloro-5-[2-phenyl-2-(pyrrolidin-1-yl)ethanesulfonyl]-2-(pyrrolidin-1-yl)benzoate
methyl 4-chloro-5-[2-phenyl-2-(pyrrolidin-1-yl)ethanesulfonyl]-2-(pyrrolidin-1-yl)benzoate
Compound characteristics
| Compound ID: | 6228-0825 |
| Compound Name: | methyl 4-chloro-5-[2-phenyl-2-(pyrrolidin-1-yl)ethanesulfonyl]-2-(pyrrolidin-1-yl)benzoate |
| Molecular Weight: | 477.02 |
| Molecular Formula: | C24 H29 Cl N2 O4 S |
| Smiles: | COC(c1cc(c(cc1N1CCCC1)[Cl])S(CC(c1ccccc1)N1CCCC1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3672 |
| logD: | 4.338 |
| logSw: | -4.5649 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.05 |
| InChI Key: | VMOHORQUJPWAQD-QFIPXVFZSA-N |