ethyl 4-[(4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}piperazine-1-carbothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}piperazine-1-carbothioyl)amino]benzoate
ethyl 4-[(4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}piperazine-1-carbothioyl)amino]benzoate
Compound characteristics
| Compound ID: | 4038-0180 |
| Compound Name: | ethyl 4-[(4-{2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]ethyl}piperazine-1-carbothioyl)amino]benzoate |
| Molecular Weight: | 458.62 |
| Molecular Formula: | C24 H34 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCN(CCNC2CC(C)(C)CC(C=2)=O)CC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4232 |
| logD: | 3.1069 |
| logSw: | -3.517 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.872 |
| InChI Key: | HDSHKTNJVRMPHJ-UHFFFAOYSA-N |