4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(1H-imidazol-4-yl)ethyl]benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(1H-imidazol-4-yl)ethyl]benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(1H-imidazol-4-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | K284-4056 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[2-(1H-imidazol-4-yl)ethyl]benzamide |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C21 H18 Br N5 O2 S |
| Smiles: | C(CNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)c1c[nH]cn1 |
| Stereo: | ACHIRAL |
| logP: | 3.0401 |
| logD: | 3.014 |
| logSw: | -3.5877 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.366 |
| InChI Key: | LMNNPHYBXBCJOT-UHFFFAOYSA-N |