N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8019-6607 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | CCOc1ccc(CCNC(CSC2NC(n3c(c(cn3)c3ccccc3)N=2)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.9975 |
| logD: | 2.9804 |
| logSw: | -3.4186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.025 |
| InChI Key: | MQKUKZLXEHSBDQ-UHFFFAOYSA-N |