9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2805 |
| Compound Name: | 9-(2,3-dimethoxyphenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3OC)OC)n3c(N2)nc(n3)SCC(c2ccccc2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5122 |
| logD: | 4.3732 |
| logSw: | -4.4648 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.661 |
| InChI Key: | KDFBDKFMOAAKQS-QHCPKHFHSA-N |