2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2629 |
| Compound Name: | 2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C23 H21 F N4 O2 S |
| Smiles: | COc1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7245 |
| logD: | 4.6626 |
| logSw: | -4.6532 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.61 |
| InChI Key: | JJJZUAPKTOVWEX-NRFANRHFSA-N |