ethyl 4-{4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperazine-1-carboxylate
ethyl 4-{4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K284-7359 |
| Compound Name: | ethyl 4-{4-[(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoyl}piperazine-1-carboxylate |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C27 H32 N4 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc(CN2C(c3cc(c(cc3NC2=S)OCC)OCC)=O)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7807 |
| logD: | 2.7736 |
| logSw: | -3.3505 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.167 |
| InChI Key: | DZYVWFGHSYJFFE-UHFFFAOYSA-N |