N-(3-{(2H-1,3-benzodioxol-5-yl)[(4-methylpyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Chemical Structure Depiction of
N-(3-{(2H-1,3-benzodioxol-5-yl)[(4-methylpyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
N-(3-{(2H-1,3-benzodioxol-5-yl)[(4-methylpyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Compound characteristics
| Compound ID: | D444-0341 |
| Compound Name: | N-(3-{(2H-1,3-benzodioxol-5-yl)[(4-methylpyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C29 H27 N3 O3 S |
| Smiles: | [H]N(C(c1ccc2c(c1)OCO2)c1c2CCCCc2sc1NC(c1ccccc1)=O)c1cc(C)ccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4372 |
| logD: | 5.7664 |
| logSw: | -5.553 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.09 |
| InChI Key: | KBKPBIXXAJCAAW-HHHXNRCGSA-N |