N-tert-butyl-1-{3-methyl-5-[2-(3-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-tert-butyl-1-{3-methyl-5-[2-(3-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
N-tert-butyl-1-{3-methyl-5-[2-(3-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K906-3801 |
| Compound Name: | N-tert-butyl-1-{3-methyl-5-[2-(3-methylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Smiles: | Cc1cccc(/C=C/c2c(c(C)no2)S(N2CCC(CC2)C(NC(C)(C)C)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7937 |
| logD: | 3.7937 |
| logSw: | -3.7821 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.974 |
| InChI Key: | LLHVCFQKTPNHQW-UHFFFAOYSA-N |