N-(3-chloro-4-methoxyphenyl)-2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F424-0757 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[4-oxo-2-(thiophen-2-yl)-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.92 |
| Molecular Formula: | C18 H14 Cl N5 O3 S2 |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1=NNC(c2cc(c3cccs3)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6614 |
| logD: | 3.6598 |
| logSw: | -4.0028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.113 |
| InChI Key: | YMMUZLTXKMTXOW-UHFFFAOYSA-N |