ethyl 5-(acetyl{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 5-(acetyl{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
ethyl 5-(acetyl{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}amino)-4-cyano-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | C791-0927 |
| Compound Name: | ethyl 5-(acetyl{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}amino)-4-cyano-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 457.93 |
| Molecular Formula: | C22 H20 Cl N3 O4 S |
| Smiles: | CCOC(c1c(C)c(C#N)c(N(Cc2c(C)oc(c3cccc(c3)[Cl])n2)C(C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4996 |
| logD: | 4.4996 |
| logSw: | -4.7704 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.33 |
| InChI Key: | GQGLPGXODOQFGO-UHFFFAOYSA-N |