ethyl 4-({benzyl[(pyridin-2-yl)methyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({benzyl[(pyridin-2-yl)methyl]carbamothioyl}amino)benzoate
ethyl 4-({benzyl[(pyridin-2-yl)methyl]carbamothioyl}amino)benzoate
Compound characteristics
Compound ID: | C087-0149 |
Compound Name: | ethyl 4-({benzyl[(pyridin-2-yl)methyl]carbamothioyl}amino)benzoate |
Molecular Weight: | 405.52 |
Molecular Formula: | C23 H23 N3 O2 S |
Smiles: | CCOC(c1ccc(cc1)NC(N(Cc1ccccc1)Cc1ccccn1)=S)=O |
Stereo: | ACHIRAL |
logP: | 4.6819 |
logD: | 4.6819 |
logSw: | -4.329 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 40.725 |
InChI Key: | NITBNMDYHRYNKG-UHFFFAOYSA-N |