2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0070 |
| Compound Name: | 2-[(4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C18 H22 N6 O3 S |
| Smiles: | CC(C)OCCCN1C(=Nc2ccccc2C1=O)SCC(Nc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3448 |
| logD: | 0.3304 |
| logSw: | -2.3855 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.209 |
| InChI Key: | OUAGUDSMTMBNLF-UHFFFAOYSA-N |