4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-butylbenzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-butylbenzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-butylbenzamide
Compound characteristics
| Compound ID: | K284-3970 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-butylbenzamide |
| Molecular Weight: | 446.36 |
| Molecular Formula: | C20 H20 Br N3 O2 S |
| Smiles: | CCCCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6084 |
| logD: | 4.5867 |
| logSw: | -4.3111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.844 |
| InChI Key: | PFXSHLQAFWACQM-UHFFFAOYSA-N |