9-[4-(dimethylamino)phenyl]-2-[(2-methylpropyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-[4-(dimethylamino)phenyl]-2-[(2-methylpropyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-[4-(dimethylamino)phenyl]-2-[(2-methylpropyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C315-0020 |
| Compound Name: | 9-[4-(dimethylamino)phenyl]-2-[(2-methylpropyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C21 H27 N5 O S |
| Smiles: | CC(C)CSc1nc2NC3CCCC(C=3C(c3ccc(cc3)N(C)C)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4217 |
| logD: | 4.3011 |
| logSw: | -4.2684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.143 |
| InChI Key: | LXTRODYRMJMFIH-IBGZPJMESA-N |