1-{4-[2-methoxy-5-(3-methylpiperidine-1-sulfonyl)phenyl]piperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[2-methoxy-5-(3-methylpiperidine-1-sulfonyl)phenyl]piperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one
1-{4-[2-methoxy-5-(3-methylpiperidine-1-sulfonyl)phenyl]piperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V006-7651 |
| Compound Name: | 1-{4-[2-methoxy-5-(3-methylpiperidine-1-sulfonyl)phenyl]piperazin-1-yl}-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 503.68 |
| Molecular Formula: | C25 H33 N3 O4 S2 |
| Salt: | not_available |
| Smiles: | CC1CCCN(C1)S(c1ccc(c(c1)N1CCN(CC1)C(CSc1ccccc1)=O)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0529 |
| logD: | 4.0529 |
| logSw: | -4.0876 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.593 |
| InChI Key: | SHXOCCHLGRXMIQ-FQEVSTJZSA-N |