3-bromo-4-methoxy-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide
Chemical Structure Depiction of
3-bromo-4-methoxy-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide
3-bromo-4-methoxy-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide
Compound characteristics
Compound ID: | 3792-1414 |
Compound Name: | 3-bromo-4-methoxy-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide |
Molecular Weight: | 456.36 |
Molecular Formula: | C21 H18 Br N3 O2 S |
Smiles: | COc1ccc(cc1[Br])C(NC(Nc1ccc(Cc2ccncc2)cc1)=S)=O |
Stereo: | ACHIRAL |
logP: | 4.3569 |
logD: | 4.3545 |
logSw: | -4.293 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 50.027 |
InChI Key: | FWAJRCJXMFXELP-UHFFFAOYSA-N |