9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-3053 |
| Compound Name: | 9-(4-ethoxy-3-methoxyphenyl)-6,6-dimethyl-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C28 H32 N4 O3 S |
| Smiles: | CCOc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)Nc2nc(nn12)SCc1ccccc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0339 |
| logD: | 5.8949 |
| logSw: | -5.4652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.907 |
| InChI Key: | WXEFTVKDTJMJDB-VWLOTQADSA-N |