ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | 6048-0163 |
Compound Name: | ethyl 2-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
Molecular Weight: | 438.54 |
Molecular Formula: | C24 H26 N2 O4 S |
Smiles: | CCOC(c1c2CCCCCCc2sc1NC(c1c(c2ccccc2)noc1C)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.4162 |
logD: | 2.5728 |
logSw: | -5.3282 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 66.09 |
InChI Key: | QNGQSTZZBLGEMC-UHFFFAOYSA-N |