2-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | Y021-2132 |
| Compound Name: | 2-methyl-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 351.38 |
| Molecular Formula: | C17 H13 N5 O2 S |
| Smiles: | Cc1nc2c3ccccc3nc(n2n1)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4626 |
| logD: | 3.4253 |
| logSw: | -3.7697 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.063 |
| InChI Key: | JLXWWTIUWCYQTB-UHFFFAOYSA-N |