9-(4-bromophenyl)-2-{[(2,4-dimethylphenyl)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-(4-bromophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-bromophenyl)-2-{[(2,4-dimethylphenyl)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: | C202-2974 |
| Compound Name: | 9-(4-bromophenyl)-2-{[(2,4-dimethylphenyl)methyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 523.49 |
| Molecular Formula: | C26 H27 Br N4 O S |
| Smiles: | Cc1ccc(CSc2nc3NC4CC(C)(C)CC(C=4C(c4ccc(cc4)[Br])n3n2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1481 |
| logD: | 7.0091 |
| logSw: | -5.511 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | XTBLDZYGRKYATD-QHCPKHFHSA-N |