2-[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
2-[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | F367-0171 |
| Compound Name: | 2-[(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C26 H23 N5 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1nnc2N(Cc3ccccc3)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5879 |
| logD: | 4.5879 |
| logSw: | -4.4253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.461 |
| InChI Key: | YAMBCZSEFQDEEH-UHFFFAOYSA-N |