N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
Compound characteristics
| Compound ID: | D348-0254 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(ethanesulfonyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | CCS(N1CCCc2cc(ccc12)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1859 |
| logD: | 2.1859 |
| logSw: | -2.8422 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.086 |
| InChI Key: | ZRMQVTIDHHANAE-UHFFFAOYSA-N |