2-({4-oxo-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-({4-oxo-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
2-({4-oxo-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0071 |
| Compound Name: | 2-({4-oxo-3-[(pyridin-3-yl)methyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C18 H15 N7 O2 S |
| Smiles: | C(c1cccnc1)N1C(=Nc2ccccc2C1=O)SCC(Nc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0345 |
| logD: | -0.049 |
| logSw: | -2.116 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.276 |
| InChI Key: | IKJJNCUJYAOHQY-UHFFFAOYSA-N |