N-(2,4-dimethoxyphenyl)-2-{[(thiophen-2-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{[(thiophen-2-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
N-(2,4-dimethoxyphenyl)-2-{[(thiophen-2-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Compound characteristics
Compound ID: | K801-0627 |
Compound Name: | N-(2,4-dimethoxyphenyl)-2-{[(thiophen-2-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
Molecular Weight: | 442.6 |
Molecular Formula: | C23 H26 N2 O3 S2 |
Smiles: | COc1ccc(c(c1)OC)NC(c1c2CCCCCc2sc1NCc1cccs1)=O |
Stereo: | ACHIRAL |
logP: | 5.6767 |
logD: | 5.6764 |
logSw: | -5.3804 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 49.105 |
InChI Key: | VVKPEYHUWVGCDN-UHFFFAOYSA-N |