N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-3580 |
| Compound Name: | N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 323.33 |
| Molecular Formula: | C12 H13 N5 O4 S |
| Smiles: | CCc1c(C(N)=O)c(NC(c2c(c[nH]n2)[N+]([O-])=O)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 0.6907 |
| logD: | -2.7154 |
| logSw: | -2.1535 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 114.725 |
| InChI Key: | PYNXBTOBJBTQCC-UHFFFAOYSA-N |