N-(4-methylphenyl)-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(4-methylphenyl)-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
N-(4-methylphenyl)-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | F367-0180 |
| Compound Name: | N-(4-methylphenyl)-2-({4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}sulfanyl)acetamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c2nnc3SCC(Nc2ccc(C)cc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7417 |
| logD: | 4.7417 |
| logSw: | -4.4856 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.461 |
| InChI Key: | ZNMNIIWWGGTFNC-UHFFFAOYSA-N |