N-[3-(4-acetamidophenoxy)-5-nitrophenyl]-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Chemical Structure Depiction of
N-[3-(4-acetamidophenoxy)-5-nitrophenyl]-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
N-[3-(4-acetamidophenoxy)-5-nitrophenyl]-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide
Compound characteristics
| Compound ID: | C163-0104 |
| Compound Name: | N-[3-(4-acetamidophenoxy)-5-nitrophenyl]-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide |
| Molecular Weight: | 516.9 |
| Molecular Formula: | C22 H21 Cl N6 O7 |
| Smiles: | CC(Nc1ccc(cc1)Oc1cc(cc(c1)[N+]([O-])=O)NC(CCCn1c(C)c(c(n1)[N+]([O-])=O)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9547 |
| logD: | 2.9511 |
| logSw: | -4.0811 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 133.777 |
| InChI Key: | INGHBDCHDBBINT-UHFFFAOYSA-N |