N~2~-[5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-chloro-2-methylphenyl)-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-[5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-chloro-2-methylphenyl)-N~2~-methylglycinamide
N~2~-[5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-chloro-2-methylphenyl)-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | F898-1662 |
| Compound Name: | N~2~-[5-(azepane-1-carbonyl)-1H-pyrrole-3-sulfonyl]-N-(3-chloro-2-methylphenyl)-N~2~-methylglycinamide |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C21 H27 Cl N4 O4 S |
| Smiles: | Cc1c(cccc1[Cl])NC(CN(C)S(c1cc(C(N2CCCCCC2)=O)[nH]c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3774 |
| logD: | 3.3753 |
| logSw: | -3.5672 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.389 |
| InChI Key: | ITZUOPDQLSSWOA-UHFFFAOYSA-N |