N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C582-0857 |
| Compound Name: | N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-5-methyl-4-nitro-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 320.32 |
| Molecular Formula: | C13 H12 N4 O4 S |
| Smiles: | CCc1c(C#N)c(NC(c2c(c(C)on2)[N+]([O-])=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 2.777 |
| logD: | -1.3544 |
| logSw: | -3.1764 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.192 |
| InChI Key: | ODVIFKQHQXBSFB-UHFFFAOYSA-N |