9-(3-bromo-4-methoxyphenyl)-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-(3-bromo-4-methoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-bromo-4-methoxyphenyl)-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: | C202-2395 |
| Compound Name: | 9-(3-bromo-4-methoxyphenyl)-2-{[(3-methylphenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 511.44 |
| Molecular Formula: | C24 H23 Br N4 O2 S |
| Smiles: | Cc1cccc(CSc2nc3NC4CCCC(C=4C(c4ccc(c(c4)[Br])OC)n3n2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6856 |
| logD: | 5.6237 |
| logSw: | -5.3428 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.697 |
| InChI Key: | LJNTYGKYLNUUPK-QFIPXVFZSA-N |