N-[1-butyl-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]pyridine-4-carboxamide
Chemical Structure Depiction of
N-[1-butyl-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]pyridine-4-carboxamide
N-[1-butyl-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]pyridine-4-carboxamide
Compound characteristics
| Compound ID: | D715-2117 |
| Compound Name: | N-[1-butyl-4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1H-pyrrol-2-yl]pyridine-4-carboxamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Smiles: | CCCCn1c(C)c(C)c(c1NC(c1ccncc1)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9186 |
| logD: | 3.5648 |
| logSw: | -3.7311 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.878 |
| InChI Key: | FESKZVZDCVUZEY-UHFFFAOYSA-N |