2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0324 |
| Compound Name: | 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C23 H21 N7 O2 S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4ccccc4nc(n3n2)SCc2cccc(c2)[N+]([O-])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8405 |
| logD: | 3.6266 |
| logSw: | -3.9321 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.154 |
| InChI Key: | PBCDGRMBSOTVNV-UHFFFAOYSA-N |