4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methoxypropyl)benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methoxypropyl)benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methoxypropyl)benzamide
Compound characteristics
| Compound ID: | K284-4053 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methoxypropyl)benzamide |
| Molecular Weight: | 462.36 |
| Molecular Formula: | C20 H20 Br N3 O3 S |
| Smiles: | COCCCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4882 |
| logD: | 3.4665 |
| logSw: | -3.8221 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.187 |
| InChI Key: | OTZQEOPAEFGHLG-UHFFFAOYSA-N |