1-(4-tert-butylbenzoyl)-3-(phenylsulfanyl)azepan-2-one
Chemical Structure Depiction of
1-(4-tert-butylbenzoyl)-3-(phenylsulfanyl)azepan-2-one
1-(4-tert-butylbenzoyl)-3-(phenylsulfanyl)azepan-2-one
Compound characteristics
| Compound ID: | 3993-2253 |
| Compound Name: | 1-(4-tert-butylbenzoyl)-3-(phenylsulfanyl)azepan-2-one |
| Molecular Weight: | 381.54 |
| Molecular Formula: | C23 H27 N O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1CCCCC(C1=O)Sc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5601 |
| logD: | 5.5601 |
| logSw: | -5.3964 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.6665 |
| InChI Key: | KBKCRFXEPZBOOV-FQEVSTJZSA-N |