3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-[4-(1-methyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-[4-(1-methyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]propan-1-one
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-[4-(1-methyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | Y503-1827 |
| Compound Name: | 3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-[4-(1-methyl-1H-pyrazole-4-sulfonyl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 431.86 |
| Molecular Formula: | C14 H18 Cl N7 O5 S |
| Smiles: | Cn1cc(cn1)S(N1CCN(CC1)C(CCn1cc(c(n1)[N+]([O-])=O)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7579 |
| logD: | -0.7579 |
| logSw: | -2.2179 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 110.533 |
| InChI Key: | CCGGLNNJJQWKNN-UHFFFAOYSA-N |