methyl 2-[4-(acetyloxy)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[4-(acetyloxy)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
methyl 2-[4-(acetyloxy)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | 3112-5199 |
Compound Name: | methyl 2-[4-(acetyloxy)benzamido]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
Molecular Weight: | 401.48 |
Molecular Formula: | C21 H23 N O5 S |
Smiles: | CC(=O)Oc1ccc(cc1)C(Nc1c(C(=O)OC)c2CCCCCCc2s1)=O |
Stereo: | ACHIRAL |
logP: | 4.2283 |
logD: | 0.8973 |
logSw: | -4.4757 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.3 |
InChI Key: | DEBHXMPHPISGDW-UHFFFAOYSA-N |