N-(2H-1,3-benzodioxol-5-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J033-0131 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 355.37 |
| Molecular Formula: | C17 H13 N3 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nc(c2ccccc2n1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8265 |
| logD: | 2.7398 |
| logSw: | -3.1882 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.2 |
| InChI Key: | AAGYRUQWSQMMAM-UHFFFAOYSA-N |