9-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-[(2-methylpropyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,4-dimethoxyphenyl)-2-[(2-methylpropyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C315-0019 |
| Compound Name: | 9-(3,4-dimethoxyphenyl)-2-[(2-methylpropyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Smiles: | CC(C)CSc1nc2NC3CCCC(C=3C(c3ccc(c(c3)OC)OC)n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9943 |
| logD: | 3.888 |
| logSw: | -4.2084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.599 |
| InChI Key: | MMUJYMBZASZSMP-IBGZPJMESA-N |