N-(3-methylbutyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methylbutyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(3-methylbutyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G199-2957 |
| Compound Name: | N-(3-methylbutyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 385.49 |
| Molecular Formula: | C19 H23 N5 O2 S |
| Smiles: | CC(C)CCNC(CSC1=NC(c2ccccc2C)=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5055 |
| logD: | 2.5055 |
| logSw: | -2.8295 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.517 |
| InChI Key: | VJFPHECDNDQNED-UHFFFAOYSA-N |