N-[(4-fluorophenyl)methyl]-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
N-[(4-fluorophenyl)methyl]-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8019-8144 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 427.43 |
| Molecular Formula: | C20 H15 F2 N5 O2 S |
| Smiles: | C(c1ccc(cc1)F)NC(CSC1NC(n2c(c(cn2)c2ccc(cc2)F)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3777 |
| logD: | 3.3606 |
| logSw: | -3.6136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.763 |
| InChI Key: | YPABUEMGMYFGQQ-UHFFFAOYSA-N |