ethyl 4-(3-benzyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-benzyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate
ethyl 4-(3-benzyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0060825 |
| Compound Name: | ethyl 4-(3-benzyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N(Cc3ccccc3)C(Nc2c1)=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9448 |
| logD: | 2.9446 |
| logSw: | -3.4954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.746 |
| InChI Key: | HYBXAFNJZDBIEH-UHFFFAOYSA-N |