6-chloro-N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
6-chloro-N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pyridine-3-carboxamide
6-chloro-N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | D715-2111 |
| Compound Name: | 6-chloro-N-[4,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)-1-(prop-2-en-1-yl)-1H-pyrrol-2-yl]pyridine-3-carboxamide |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C22 H22 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1)S(c1c(C)c(C)n(CC=C)c1NC(c1ccc(nc1)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1008 |
| logD: | 3.2933 |
| logSw: | -4.3702 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.454 |
| InChI Key: | BMONAHCUBGZYSM-UHFFFAOYSA-N |