ethyl 4-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate
ethyl 4-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | 8016-7262 |
| Compound Name: | ethyl 4-[4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamido]benzoate |
| Molecular Weight: | 374.39 |
| Molecular Formula: | C18 H22 N4 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(CCCn1c(C)c(c(C)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0319 |
| logD: | 2.0314 |
| logSw: | -2.51 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.181 |
| InChI Key: | BDONNGOGZFXMPP-UHFFFAOYSA-N |