N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G207-1598 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]piperidine-4-carboxamide |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | CCC1=C(c2ccc(C)cc2)S(N=C1N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7095 |
| logD: | 3.7095 |
| logSw: | -3.7657 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.659 |
| InChI Key: | FMSMMSXRYFQEFM-UHFFFAOYSA-N |