N-(butan-2-yl)-3-[1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-[1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
N-(butan-2-yl)-3-[1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Compound characteristics
| Compound ID: | L942-0070 |
| Compound Name: | N-(butan-2-yl)-3-[1-{[(2-methylphenyl)methyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | CCC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCc1ccccc1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0354 |
| logD: | 4.0354 |
| logSw: | -4.0481 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.475 |
| InChI Key: | FTFXVJDWUNAUEI-KRWDZBQOSA-N |