ethyl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
ethyl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Compound characteristics
Compound ID: | 6048-0188 |
Compound Name: | ethyl 2-[(9H-xanthene-9-carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate |
Molecular Weight: | 461.58 |
Molecular Formula: | C27 H27 N O4 S |
Smiles: | CCOC(c1c2CCCCCCc2sc1NC(C1c2ccccc2Oc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 6.3521 |
logD: | -0.1185 |
logSw: | -5.6069 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.943 |
InChI Key: | ONFMKQXBBUDMIB-UHFFFAOYSA-N |