2-{[(4-methoxyphenyl)methyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
Chemical Structure Depiction of
2-{[(4-methoxyphenyl)methyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
2-{[(4-methoxyphenyl)methyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide
Compound characteristics
| Compound ID: | 5742-0480 |
| Compound Name: | 2-{[(4-methoxyphenyl)methyl]amino}-4,4-dimethyl-6-oxo-N-phenylcyclohex-1-ene-1-carbothioamide |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C23 H26 N2 O2 S |
| Smiles: | CC1(C)CC(=C(C(C1)=O)C(Nc1ccccc1)=S)NCc1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2741 |
| logD: | 4.2612 |
| logSw: | -4.4145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.747 |
| InChI Key: | ZKLMWGIWHXLPSH-UHFFFAOYSA-N |