N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-3436 |
| Compound Name: | N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 380.4 |
| Molecular Formula: | C13 H12 N6 O4 S2 |
| Smiles: | CCSc1nnc(NC(c2ccc(Cn3cc(cn3)[N+]([O-])=O)o2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8359 |
| logD: | 2.8162 |
| logSw: | -3.3403 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.964 |
| InChI Key: | OOPZVIOWIRZBJL-UHFFFAOYSA-N |