ethyl 4-(4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate
ethyl 4-(4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0060805 |
| Compound Name: | ethyl 4-(4-oxo-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2319 |
| logD: | 2.2293 |
| logSw: | -3.2116 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.135 |
| InChI Key: | DHTZZHHJYQSVBC-UHFFFAOYSA-N |