2-[(4-cyclopropyl-5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-[(4-cyclopropyl-5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide
2-[(4-cyclopropyl-5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y503-1132 |
| Compound Name: | 2-[(4-cyclopropyl-5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 382.43 |
| Molecular Formula: | C16 H20 F2 N6 O S |
| Smiles: | Cc1cc(C(F)F)nn1Cc1nnc(n1C1CC1)SCC(NCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5665 |
| logD: | 0.5664 |
| logSw: | -1.8523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.638 |
| InChI Key: | VAFKTCFMTYWLPH-UHFFFAOYSA-N |