N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{5-[2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{5-[2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{5-[2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide
Compound characteristics
| Compound ID: | F061-1351 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{5-[2-(2,5-dimethylphenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidine-3-carboxamide |
| Molecular Weight: | 537.63 |
| Molecular Formula: | C28 H31 N3 O6 S |
| Smiles: | Cc1ccc(C)c(/C=C/c2c(c(C)no2)S(N2CCCC(C2)C(NCc2ccc3c(c2)OCO3)=O)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9184 |
| logD: | 3.9184 |
| logSw: | -3.8302 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.927 |
| InChI Key: | JBDDBPIDIXCCCR-QHCPKHFHSA-N |