9-(2-ethoxyphenyl)-6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2-ethoxyphenyl)-6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2-ethoxyphenyl)-6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2715 |
| Compound Name: | 9-(2-ethoxyphenyl)-6,6-dimethyl-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 505.6 |
| Molecular Formula: | C26 H27 N5 O4 S |
| Smiles: | CCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2nc(nn12)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.416 |
| logD: | 5.2769 |
| logSw: | -5.3482 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.658 |
| InChI Key: | LEPMCKXEYTYGQN-QHCPKHFHSA-N |