ethyl 4-{[(2-oxo-2-{[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]amino}ethyl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(2-oxo-2-{[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]amino}ethyl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(2-oxo-2-{[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]amino}ethyl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 4556-1045 |
| Compound Name: | ethyl 4-{[(2-oxo-2-{[4-(2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]amino}ethyl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 516.59 |
| Molecular Formula: | C23 H24 N4 O6 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(CSCC(Nc1nc(cs1)C1=Cc2ccccc2OC1=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9167 |
| logD: | 2.9114 |
| logSw: | -3.4652 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.985 |
| InChI Key: | LULJMFPKQUDDTH-UHFFFAOYSA-N |