methyl 2-[(5-methylfuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(5-methylfuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-[(5-methylfuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y509-7157 |
| Compound Name: | methyl 2-[(5-methylfuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 333.4 |
| Molecular Formula: | C17 H19 N O4 S |
| Smiles: | Cc1ccc(C(Nc2c(C(=O)OC)c3CCCCCc3s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.1137 |
| logD: | 1.1095 |
| logSw: | -4.4357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.642 |
| InChI Key: | TWDGUJMSVZCBJL-UHFFFAOYSA-N |