N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonyl]piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F817-0075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 505.61 |
| Molecular Formula: | C23 H27 N3 O6 S2 |
| Smiles: | C1CCN(C1)C(c1cc(sc1)S(N1CCC(CC1)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9163 |
| logD: | 1.9163 |
| logSw: | -2.6504 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.511 |
| InChI Key: | ZJKLACRITPIJKL-UHFFFAOYSA-N |