2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide
Chemical Structure Depiction of
2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide
2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide
Compound characteristics
Compound ID: | 3261-0863 |
Compound Name: | 2-methyl-N-[3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]benzamide |
Molecular Weight: | 411.57 |
Molecular Formula: | C23 H29 N3 O2 S |
Smiles: | Cc1ccccc1C(Nc1c(C(N2CCN(C)CC2)=O)c2CCCCCc2s1)=O |
Stereo: | ACHIRAL |
logP: | 3.7238 |
logD: | 0.545 |
logSw: | -4.1769 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 43.5 |
InChI Key: | PSHYDUOEHUUAOU-UHFFFAOYSA-N |