N-(3-{(2H-1,3-benzodioxol-5-yl)[(4-methylpyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
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)furan-2-carboxamide
N-(3-{(2H-1,3-benzodioxol-5-yl)[(4-methylpyridin-2-yl)amino]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | D444-0251 |
| 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)furan-2-carboxamide |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | [H]N(C(c1ccc2c(c1)OCO2)c1c2CCCCc2sc1NC(c1ccco1)=O)c1cc(C)ccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8148 |
| logD: | 5.144 |
| logSw: | -5.3401 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.669 |
| InChI Key: | XNJLQNMMSYQXBV-RUZDIDTESA-N |