ethyl 4-{[(2-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(2-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(2-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 4556-0891 |
| Compound Name: | ethyl 4-{[(2-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 476.62 |
| Molecular Formula: | C22 H28 N4 O4 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(CSCC(Nc1nc(cs1)c1ccc(C)cc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1177 |
| logD: | 4.1177 |
| logSw: | -4.0512 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.064 |
| InChI Key: | VNXGAEOBTNXUGO-UHFFFAOYSA-N |