N-cyclohexyl-N-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-N'-(3-methylphenyl)thiourea
Chemical Structure Depiction of
N-cyclohexyl-N-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-N'-(3-methylphenyl)thiourea
N-cyclohexyl-N-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-N'-(3-methylphenyl)thiourea
Compound characteristics
| Compound ID: | 4779-0117 |
| Compound Name: | N-cyclohexyl-N-{3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]propyl}-N'-(3-methylphenyl)thiourea |
| Molecular Weight: | 427.65 |
| Molecular Formula: | C25 H37 N3 O S |
| Smiles: | Cc1cccc(c1)NC(N(CCCNC1CC(C)(C)CC(C=1)=O)C1CCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.3272 |
| logD: | 5.326 |
| logSw: | -5.0742 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.113 |
| InChI Key: | INWYJKQRHXOQPU-UHFFFAOYSA-N |