methyl 3-[(1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carbonyl)amino]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[(1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carbonyl)amino]thiophene-2-carboxylate
methyl 3-[(1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carbonyl)amino]thiophene-2-carboxylate
Compound characteristics
Compound ID: | G539-0079 |
Compound Name: | methyl 3-[(1-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-c]pyridine-2(1H)-carbonyl)amino]thiophene-2-carboxylate |
Molecular Weight: | 452.59 |
Molecular Formula: | C24 H24 N2 O3 S2 |
Smiles: | COC(c1c(ccs1)NC(N1CCc2c3CCCCc3sc2C1c1ccccc1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.1814 |
logD: | 6.1806 |
logSw: | -5.5034 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.116 |
InChI Key: | MSHACEVCHKGJGI-HXUWFJFHSA-N |