N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide
Compound characteristics
Compound ID: | E146-0504 |
Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-4H-[1]benzopyrano[3,4-d][1,2]oxazole-3-carboxamide |
Molecular Weight: | 366.44 |
Molecular Formula: | C20 H18 N2 O3 S |
Smiles: | CSc1ccc(CCNC(c2c3COc4ccccc4c3on2)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.6119 |
logD: | 3.6119 |
logSw: | -3.9554 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.023 |
InChI Key: | MDEJAAPPNJSOIC-UHFFFAOYSA-N |