N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J033-0189 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-[(4-hydroxyquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 434.31 |
| Molecular Formula: | C18 H16 Br N3 O3 S |
| Smiles: | COc1ccc(cc1CNC(CSc1nc(c2ccccc2n1)O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.568 |
| logD: | 3.4813 |
| logSw: | -3.7405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.037 |
| InChI Key: | MSKMPSKXTRWZMI-UHFFFAOYSA-N |