2-benzoyl-3-(3-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
Chemical Structure Depiction of
2-benzoyl-3-(3-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
2-benzoyl-3-(3-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one
Compound characteristics
| Compound ID: | 8015-8291 |
| Compound Name: | 2-benzoyl-3-(3-methoxyanilino)-5,5-dimethylcyclohex-2-en-1-one |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C22 H23 N O3 |
| Smiles: | CC1(C)CC(=C(C(C1)=O)C(c1ccccc1)=O)Nc1cccc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4941 |
| logD: | 3.827 |
| logSw: | -4.531 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.411 |
| InChI Key: | NFNSRDFOEPSRBC-UHFFFAOYSA-N |