N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-5666 |
| Compound Name: | N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 536.63 |
| Molecular Formula: | C24 H24 N8 O3 S2 |
| Smiles: | Cc1cc(C)nc(NS(c2ccc(cc2)NC(CSc2nnc(c3cccnc3)n2CC=C)=O)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.0782 |
| logD: | 1.596 |
| logSw: | -2.5814 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.854 |
| InChI Key: | NRHOJFNFEGIYOX-UHFFFAOYSA-N |