2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(propan-2-yl)acetamide
2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | F367-0198 |
| Compound Name: | 2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)-N-(propan-2-yl)acetamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CC(C)NC(CSc1nnc2N(Cc3ccc(C)cc3)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0779 |
| logD: | 3.0779 |
| logSw: | -3.6456 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.029 |
| InChI Key: | KGKDECWYXKNRBL-UHFFFAOYSA-N |