2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0123 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(3,4-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C24 H23 Cl N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.938 |
| logD: | 4.8761 |
| logSw: | -5.1246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.327 |
| InChI Key: | IELREQRZBOLMRH-QFIPXVFZSA-N |