2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0561 |
| Compound Name: | 2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 459.53 |
| Molecular Formula: | C23 H21 N7 O2 S |
| Smiles: | Cc1c(CCc2nc3c4ccccc4nc(n3n2)SCc2ccc(cc2)[N+]([O-])=O)c(C)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5089 |
| logD: | 3.6276 |
| logSw: | -4.3432 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.084 |
| InChI Key: | IMTWETYZYFHSJM-UHFFFAOYSA-N |