N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Chemical Structure Depiction of
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0500 |
| Compound Name: | N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide |
| Molecular Weight: | 348.38 |
| Molecular Formula: | C14 H16 N6 O3 S |
| Smiles: | CCc1c(C#N)c(NC(CCCn2cnc(n2)[N+]([O-])=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 1.3356 |
| logD: | -0.4588 |
| logSw: | -2.262 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.613 |
| InChI Key: | ICMLETJLIZXPHO-UHFFFAOYSA-N |