9-(4-bromophenyl)-2-{[(2-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)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-bromophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C650-0071 |
| Compound Name: | 9-(4-bromophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 481.41 |
| Molecular Formula: | C23 H21 Br N4 O S |
| Smiles: | Cc1ccccc1CSc1nc2NC3CCCC(C=3C(c3ccc(cc3)[Br])n2n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.254 |
| logD: | 6.1921 |
| logSw: | -5.4266 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | AGKOJFVOHKDBAK-NRFANRHFSA-N |