5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-(4-cyanophenyl)-1,2-dimethyl-1H-pyrrole-3-sulfonamide
Chemical Structure Depiction of
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-(4-cyanophenyl)-1,2-dimethyl-1H-pyrrole-3-sulfonamide
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-(4-cyanophenyl)-1,2-dimethyl-1H-pyrrole-3-sulfonamide
Compound characteristics
| Compound ID: | L507-1700 |
| Compound Name: | 5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-(4-cyanophenyl)-1,2-dimethyl-1H-pyrrole-3-sulfonamide |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C24 H27 N5 O3 S2 |
| Smiles: | Cc1c(C(N2CCCCCC2)=O)sc(c2cc(c(C)n2C)S(Nc2ccc(C#N)cc2)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9386 |
| logD: | 3.4872 |
| logSw: | -3.957 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.267 |
| InChI Key: | XCHUJTVMEDNJIF-UHFFFAOYSA-N |