ethyl 4-(2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8019-8150 |
| Compound Name: | ethyl 4-(2-{[8-(4-fluorophenyl)-4-oxo-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 467.48 |
| Molecular Formula: | C22 H18 F N5 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1NC(n2c(c(cn2)c2ccc(cc2)F)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2687 |
| logD: | 4.2516 |
| logSw: | -4.0682 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.194 |
| InChI Key: | KYQQUIVMQHROKY-UHFFFAOYSA-N |