N-(2-cyanoethyl)-N-methyl-2-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Chemical Structure Depiction of
N-(2-cyanoethyl)-N-methyl-2-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
N-(2-cyanoethyl)-N-methyl-2-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide
Compound characteristics
| Compound ID: | C527-0536 |
| Compound Name: | N-(2-cyanoethyl)-N-methyl-2-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methanesulfinyl}acetamide |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C18 H21 N3 O3 S |
| Smiles: | Cc1cccc(c1)c1nc(CS(CC(N(C)CCC#N)=O)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.2573 |
| logD: | 1.2573 |
| logSw: | -2.1087 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.769 |
| InChI Key: | QDBAVWDENJWHAG-UHFFFAOYSA-N |