1-[(4-bromophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
1-[(4-bromophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
1-[(4-bromophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Compound characteristics
Compound ID: | G842-1666 |
Compound Name: | 1-[(4-bromophenyl)methyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide |
Molecular Weight: | 454.34 |
Molecular Formula: | C21 H16 Br N3 O2 S |
Smiles: | Cc1cccc2c1nc(NC(C1=CC=CN(Cc3ccc(cc3)[Br])C1=O)=O)s2 |
Stereo: | ACHIRAL |
logP: | 4.8926 |
logD: | 4.2237 |
logSw: | -4.5679 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.576 |
InChI Key: | VLLSITZLUOGMTB-UHFFFAOYSA-N |