N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{3-methyl-5-[2-(thiophen-2-yl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{3-methyl-5-[2-(thiophen-2-yl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{3-methyl-5-[2-(thiophen-2-yl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C514-0239 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{3-methyl-5-[2-(thiophen-2-yl)ethenyl]-1,2-oxazole-4-sulfonyl}piperidine-4-carboxamide |
| Molecular Weight: | 515.61 |
| Molecular Formula: | C24 H25 N3 O6 S2 |
| Smiles: | Cc1c(c(/C=C/c2cccs2)on1)S(N1CCC(CC1)C(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9845 |
| logD: | 1.9843 |
| logSw: | -2.8484 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.398 |
| InChI Key: | MADSMUMBQCFYEA-UHFFFAOYSA-N |