N-(butan-2-yl)-1-{[(3-methylphenyl)methyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-1-{[(3-methylphenyl)methyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-1-{[(3-methylphenyl)methyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0090 |
| Compound Name: | N-(butan-2-yl)-1-{[(3-methylphenyl)methyl]sulfanyl}-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C25 H29 N5 O2 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCc1cccc(C)c1)C(NC(C)CC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.42 |
| logD: | 4.42 |
| logSw: | -4.1484 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.688 |
| InChI Key: | ZDCBREDHODKYOW-KRWDZBQOSA-N |