2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide
Compound characteristics
| Compound ID: | M191-0045 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydroquinazolin-2-yl}sulfanyl)-N-(4H-1,2,4-triazol-3-yl)acetamide |
| Molecular Weight: | 436.45 |
| Molecular Formula: | C20 H16 N6 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)N1C(=Nc2ccccc2C1=O)SCC(Nc1nnc[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1498 |
| logD: | 1.1354 |
| logSw: | -2.6609 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.873 |
| InChI Key: | JKUSEBXAPDAOPJ-UHFFFAOYSA-N |