N-(5-methyl-1H-pyrazol-3-yl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-methyl-1H-pyrazol-3-yl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-(5-methyl-1H-pyrazol-3-yl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K280-0141 |
| Compound Name: | N-(5-methyl-1H-pyrazol-3-yl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 460.47 |
| Molecular Formula: | C21 H16 N8 O3 S |
| Smiles: | Cc1cc(NC(CSc2nc3ccccc3c3nc(c4ccc(cc4)[N+]([O-])=O)nn23)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.0342 |
| logD: | 4.0259 |
| logSw: | -4.1602 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.463 |
| InChI Key: | WARPGKXDJXWASP-UHFFFAOYSA-N |