9-(4-bromophenyl)-6,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-bromophenyl)-6,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-bromophenyl)-6,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2761 |
| Compound Name: | 9-(4-bromophenyl)-6,6-dimethyl-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 509.47 |
| Molecular Formula: | C25 H25 Br N4 O S |
| Smiles: | Cc1cccc(CSc2nc3NC4CC(C)(C)CC(C=4C(c4ccc(cc4)[Br])n3n2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.706 |
| logD: | 6.567 |
| logSw: | -5.5959 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | CHHWKNWVBSTMDH-QFIPXVFZSA-N |