N-(4-bromophenyl)-2-{[6,7-dimethoxy-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[6,7-dimethoxy-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[6,7-dimethoxy-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y600-0288 |
| Compound Name: | N-(4-bromophenyl)-2-{[6,7-dimethoxy-4-oxo-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 490.37 |
| Molecular Formula: | C21 H20 Br N3 O4 S |
| Smiles: | COc1cc2C(N(CC=C)C(=Nc2cc1OC)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1384 |
| logD: | 4.1383 |
| logSw: | -4.2934 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.431 |
| InChI Key: | HRVBPOOBEFEYTE-UHFFFAOYSA-N |