9-(4-ethoxy-3-methoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-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)-2-{[(3-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-ethoxy-3-methoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2928 |
| Compound Name: | 9-(4-ethoxy-3-methoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 508.61 |
| Molecular Formula: | C27 H29 F N4 O3 S |
| Smiles: | CCOc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)Nc2nc(nn12)SCc1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3559 |
| logD: | 5.2169 |
| logSw: | -5.4097 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.907 |
| InChI Key: | IDUZQVUJHBQDJP-DEOSSOPVSA-N |