1-{[(4-methylphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[(4-methylphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[(4-methylphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
Compound ID: | F472-0021 |
Compound Name: | 1-{[(4-methylphenyl)methyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
Molecular Weight: | 449.57 |
Molecular Formula: | C24 H27 N5 O2 S |
Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCc1ccc(C)cc1)C(NC(C)C)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.7935 |
logD: | 3.7935 |
logSw: | -3.8458 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.221 |
InChI Key: | XPPOHZRKIIHQQL-UHFFFAOYSA-N |