methyl 2-[(5-methylfuran-2-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(5-methylfuran-2-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[(5-methylfuran-2-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0207 |
| Compound Name: | methyl 2-[(5-methylfuran-2-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
| Molecular Weight: | 347.43 |
| Molecular Formula: | C18 H21 N O4 S |
| Smiles: | Cc1ccc(C(Nc2c(C(=O)OC)c3CCCCCCc3s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.6096 |
| logD: | 1.6054 |
| logSw: | -4.5915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.642 |
| InChI Key: | OTQDSIIFKMHOJH-UHFFFAOYSA-N |