methyl 4-cyano-5-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-cyano-5-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3-methylthiophene-2-carboxylate
methyl 4-cyano-5-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y503-0572 |
| Compound Name: | methyl 4-cyano-5-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 450.3 |
| Molecular Formula: | C19 H13 Cl2 N3 O4 S |
| Smiles: | Cc1c(C#N)c(NC(c2c(c3c(cccc3[Cl])[Cl])noc2C)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8677 |
| logD: | 0.3546 |
| logSw: | -4.6024 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.314 |
| InChI Key: | FYHMDRSAQNNHQO-UHFFFAOYSA-N |