N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-methyl-5-[2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-methyl-5-[2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-methyl-5-[2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G637-1349 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{3-methyl-5-[2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide |
| Molecular Weight: | 551.66 |
| Molecular Formula: | C29 H33 N3 O6 S |
| Smiles: | Cc1cc(C)c(/C=C/c2c(c(C)no2)S(N2CCC(CC2)C(NCc2ccc3c(c2)OCO3)=O)(=O)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.3884 |
| logD: | 4.3884 |
| logSw: | -4.2208 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.994 |
| InChI Key: | QJENDDKPVMVKQX-UHFFFAOYSA-N |