N-(3-{[(4-methylpyridin-2-yl)amino][4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(4-methylpyridin-2-yl)amino][4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
N-(3-{[(4-methylpyridin-2-yl)amino][4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | D444-0230 |
| Compound Name: | N-(3-{[(4-methylpyridin-2-yl)amino][4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide |
| Molecular Weight: | 489.66 |
| Molecular Formula: | C27 H27 N3 O2 S2 |
| Smiles: | [H]N(C(c1ccc(cc1)SC)c1c2CCCCc2sc1NC(c1ccco1)=O)c1cc(C)ccn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4746 |
| logD: | 5.8039 |
| logSw: | -5.47 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.553 |
| InChI Key: | WAIVYALREJSBGV-RUZDIDTESA-N |