4-{[(5-bromopyridin-2-yl)amino]methylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Chemical Structure Depiction of
4-{[(5-bromopyridin-2-yl)amino]methylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
4-{[(5-bromopyridin-2-yl)amino]methylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one
Compound characteristics
Compound ID: | K091-1129 |
Compound Name: | 4-{[(5-bromopyridin-2-yl)amino]methylidene}-2-(4-methylphenyl)-1,3-oxazol-5(4H)-one |
Molecular Weight: | 358.19 |
Molecular Formula: | C16 H12 Br N3 O2 |
Smiles: | Cc1ccc(cc1)C1=NC(=C/Nc2ccc(cn2)[Br])\C(=O)O1 |
Stereo: | ACHIRAL |
logP: | 3.7698 |
logD: | 3.6761 |
logSw: | -3.9008 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.681 |
InChI Key: | UPEQRPLAOJNDHU-UHFFFAOYSA-N |