6-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
6-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | D718-0373 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-2-(methylsulfanyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C18 H18 N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C1CC2C(=Cn3c(N=2)nc(n3)SC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1819 |
| logD: | 2.1819 |
| logSw: | -2.7888 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.653 |
| InChI Key: | SDRLUKVAZBWEEZ-LLVKDONJSA-N |