N-(butan-2-yl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-(butan-2-yl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C445-0153 |
| Compound Name: | N-(butan-2-yl)-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C23 H24 N6 O5 S |
| Smiles: | CCC(C)NC(CSc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8974 |
| logD: | 3.8887 |
| logSw: | -4.017 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.624 |
| InChI Key: | FFTDYOLCQKHPRP-ZDUSSCGKSA-N |