2-[(4-oxo-3-pentyl-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-[(4-oxo-3-pentyl-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
2-[(4-oxo-3-pentyl-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0048 |
| Compound Name: | 2-[(4-oxo-3-pentyl-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 372.45 |
| Molecular Formula: | C17 H20 N6 O2 S |
| Smiles: | CCCCCN1C(=Nc2ccccc2C1=O)SCC(Nc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5876 |
| logD: | 1.5732 |
| logSw: | -2.6834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.008 |
| InChI Key: | RGTYAPXAWMTWSH-UHFFFAOYSA-N |