4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
Compound characteristics
| Compound ID: | K284-4022 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide |
| Molecular Weight: | 554.46 |
| Molecular Formula: | C26 H24 Br N3 O4 S |
| Smiles: | COc1ccc(CCNC(c2ccc(CN3C(c4cc(ccc4NC3=S)[Br])=O)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2465 |
| logD: | 4.2248 |
| logSw: | -4.3314 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.834 |
| InChI Key: | KBKIMBIHWIFOSB-UHFFFAOYSA-N |