ethyl 4-[(2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[b]thieno[2,3-d]pyrrole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[b]thieno[2,3-d]pyrrole-3-carbonyl)amino]benzoate
ethyl 4-[(2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[b]thieno[2,3-d]pyrrole-3-carbonyl)amino]benzoate
Compound characteristics
Compound ID: | L635-0365 |
Compound Name: | ethyl 4-[(2-methyl-4,5,6,7,8,9-hexahydrocyclohepta[b]thieno[2,3-d]pyrrole-3-carbonyl)amino]benzoate |
Molecular Weight: | 396.51 |
Molecular Formula: | C22 H24 N2 O3 S |
Smiles: | CCOC(c1ccc(cc1)NC(c1c2c(c3CCCCCc3[nH]2)sc1C)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.5733 |
logD: | 5.5732 |
logSw: | -5.383 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.974 |
InChI Key: | SOBHBXUIAKETJS-UHFFFAOYSA-N |