8,9-dimethoxy-2-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
8,9-dimethoxy-2-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
8,9-dimethoxy-2-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0050 |
| Compound Name: | 8,9-dimethoxy-2-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 411.44 |
| Molecular Formula: | C19 H17 N5 O4 S |
| Smiles: | Cc1nc2c3cc(c(cc3nc(n2n1)SCc1ccc(cc1)[N+]([O-])=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.1509 |
| logD: | 3.1076 |
| logSw: | -3.2656 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.324 |
| InChI Key: | AIUIOYQIRYLTOX-UHFFFAOYSA-N |