2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0044 |
| Compound Name: | 2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C20 H18 N6 O2 S |
| Smiles: | Cc1ccc(CN2C(=Nc3ccccc3C2=O)SCC(Nc2nnc[nH]2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.702 |
| logD: | 1.6876 |
| logSw: | -2.7966 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.758 |
| InChI Key: | VBONXCZORCKMAC-UHFFFAOYSA-N |