4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{2-[butyl(methyl)amino]ethyl}benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{2-[butyl(methyl)amino]ethyl}benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{2-[butyl(methyl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | K284-3987 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{2-[butyl(methyl)amino]ethyl}benzamide |
| Molecular Weight: | 503.46 |
| Molecular Formula: | C23 H27 Br N4 O2 S |
| Smiles: | CCCCN(C)CCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3037 |
| logD: | 3.3551 |
| logSw: | -4.0102 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.917 |
| InChI Key: | AQYUSJVRUBWSQH-UHFFFAOYSA-N |