N-(3-chloro-4-methoxyphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-(3-chloro-4-methoxyphenyl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0554 |
| Compound Name: | N-(3-chloro-4-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(Nc1ccc(c(c1)[Cl])OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5608 |
| logD: | 2.5587 |
| logSw: | -3.6549 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.054 |
| InChI Key: | XLDAIFPZRMHAEM-UHFFFAOYSA-N |