ethyl 4-(4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate
ethyl 4-(4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0060865 |
| Compound Name: | ethyl 4-(4-oxo-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C21 H28 N4 O4 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(N1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2538 |
| logD: | 3.2532 |
| logSw: | -3.4095 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.996 |
| InChI Key: | XCBYYDLVWMZZMS-UHFFFAOYSA-N |