N-(3-chloro-4-methylphenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-(3-chloro-4-methylphenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0091 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C21 H27 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CCNS(c1c(C(N2CCCC2)=O)c(C)[nH]c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1531 |
| logD: | 3.1518 |
| logSw: | -3.8343 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.79 |
| InChI Key: | CRFUCRVTCVFVBH-UHFFFAOYSA-N |