ethyl 4-{4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperazine-1-carboxylate
ethyl 4-{4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K284-4027 |
| Compound Name: | ethyl 4-{4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 531.43 |
| Molecular Formula: | C23 H23 Br N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7488 |
| logD: | 3.7271 |
| logSw: | -3.9087 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.746 |
| InChI Key: | UYORWZMMHHZTDY-UHFFFAOYSA-N |