4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide
Compound characteristics
| Compound ID: | K284-3974 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide |
| Molecular Weight: | 490.42 |
| Molecular Formula: | C22 H24 Br N3 O3 S |
| Smiles: | CC(C)OCCCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9622 |
| logD: | 3.9405 |
| logSw: | -4.0858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.045 |
| InChI Key: | LAJMVGJGAFFAOU-UHFFFAOYSA-N |