N-(4-bromo-2-fluorophenyl)-2-{[4-cyclopropyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-2-{[4-cyclopropyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromo-2-fluorophenyl)-2-{[4-cyclopropyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y500-8621 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-2-{[4-cyclopropyl-5-(1-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.32 |
| Molecular Formula: | C17 H16 Br F N6 O S |
| Smiles: | Cn1c(ccn1)c1nnc(n1C1CC1)SCC(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7217 |
| logD: | 2.7134 |
| logSw: | -3.1987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.978 |
| InChI Key: | KXXBCJZITOIKFA-UHFFFAOYSA-N |