methyl 4-[(2-{[(5-methylfuran-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{[(5-methylfuran-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
methyl 4-[(2-{[(5-methylfuran-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | K801-0406 |
| Compound Name: | methyl 4-[(2-{[(5-methylfuran-2-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C23 H24 N2 O4 S |
| Smiles: | Cc1ccc(CNc2c(C(Nc3ccc(cc3)C(=O)OC)=O)c3CCCCc3s2)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.4105 |
| logD: | 5.4103 |
| logSw: | -5.4869 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.716 |
| InChI Key: | WOYFHXPZURVRSF-UHFFFAOYSA-N |