9-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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: | C202-2990 |
| Compound Name: | 9-(3,4-dimethoxyphenyl)-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: | 494.59 |
| Molecular Formula: | C26 H27 F N4 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)OC)OC)n3c(N2)nc(n3)SCc2cccc(c2)F)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0103 |
| logD: | 4.8713 |
| logSw: | -4.8957 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.327 |
| InChI Key: | RDHZSPSIJGYRCA-QHCPKHFHSA-N |