ethyl 4-[(cyclohexyl{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}carbamothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(cyclohexyl{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}carbamothioyl)amino]benzoate
ethyl 4-[(cyclohexyl{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}carbamothioyl)amino]benzoate
Compound characteristics
| Compound ID: | 4779-0115 |
| Compound Name: | ethyl 4-[(cyclohexyl{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}carbamothioyl)amino]benzoate |
| Molecular Weight: | 485.69 |
| Molecular Formula: | C27 H39 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CCCNC1CC(C)(C)CC(C=1)=O)C1CCCCC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5687 |
| logD: | 5.5675 |
| logSw: | -5.1787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.867 |
| InChI Key: | BJYJYTLWVWODCC-UHFFFAOYSA-N |