9-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2616 |
| Compound Name: | 9-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 466.53 |
| Molecular Formula: | C24 H23 F N4 O3 S |
| Smiles: | COc1ccc(cc1OC)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4047 |
| logD: | 4.3428 |
| logSw: | -4.4844 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.327 |
| InChI Key: | AYFHSQRHWIJGHY-QFIPXVFZSA-N |