N-(5-chloro-2-methoxyphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-(5-chloro-2-methoxyphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0552 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 497.01 |
| Molecular Formula: | C22 H29 Cl N4 O5 S |
| Smiles: | Cc1c(C(N2CCCCC2)=O)c(c(C)[nH]1)S(NCCC(Nc1cc(ccc1OC)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3031 |
| logD: | 2.2751 |
| logSw: | -3.751 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.356 |
| InChI Key: | XKXDPLUKUPSASM-UHFFFAOYSA-N |