ethyl 4-{3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
ethyl 4-{3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0061125 |
| Compound Name: | ethyl 4-{3-[(3-bromophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 531.43 |
| Molecular Formula: | C23 H23 Br N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N(Cc3cccc(c3)[Br])C(Nc2c1)=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6557 |
| logD: | 3.6556 |
| logSw: | -3.8577 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.746 |
| InChI Key: | OKFZMFNCGUUFFF-UHFFFAOYSA-N |