methyl 3-({4-[({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)methyl]piperidine-1-carbothioyl}amino)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)methyl]piperidine-1-carbothioyl}amino)thiophene-2-carboxylate
methyl 3-({4-[({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)methyl]piperidine-1-carbothioyl}amino)thiophene-2-carboxylate
Compound characteristics
Compound ID: | C200-1906 |
Compound Name: | methyl 3-({4-[({[2-(methoxycarbonyl)thiophen-3-yl]carbamothioyl}amino)methyl]piperidine-1-carbothioyl}amino)thiophene-2-carboxylate |
Molecular Weight: | 512.69 |
Molecular Formula: | C20 H24 N4 O4 S4 |
Smiles: | COC(c1c(ccs1)NC(NCC1CCN(CC1)C(Nc1ccsc1C(=O)OC)=S)=S)=O |
Stereo: | ACHIRAL |
logP: | 4.0184 |
logD: | 4.0181 |
logSw: | -4.1366 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 74.27 |
InChI Key: | UUHDWGLTALLLRR-UHFFFAOYSA-N |