2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-6,6-dimethyl-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)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2932 |
| Compound Name: | 2-{[(3-fluorophenyl)methyl]sulfanyl}-9-(4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 464.56 |
| Molecular Formula: | C25 H25 F N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)OC)n3c(N2)nc(n3)SCc2cccc(c2)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3301 |
| logD: | 5.191 |
| logSw: | -5.4194 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.61 |
| InChI Key: | RWXYTJRQWZJTTO-QFIPXVFZSA-N |