N-butyl-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-ethylacetamide
Chemical Structure Depiction of
N-butyl-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-ethylacetamide
N-butyl-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-ethylacetamide
Compound characteristics
| Compound ID: | F424-1150 |
| Compound Name: | N-butyl-2-{[2-(3,4-dimethoxyphenyl)-4-oxo-4,5-dihydropyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}-N-ethylacetamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C21 H27 N5 O4 S |
| Smiles: | CCCCN(CC)C(CSC1=NNC(c2cc(c3ccc(c(c3)OC)OC)nn12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1287 |
| logD: | 3.127 |
| logSw: | -3.3402 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.505 |
| InChI Key: | VPTRDFNJBKWRCG-UHFFFAOYSA-N |