N-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonamide
N-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y504-5339 |
| Compound Name: | N-[3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propyl]-4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C18 H23 N5 O5 S |
| Smiles: | Cc1c(c(C)n(CCCNS(c2ccc(cc2)N2CCCC2=O)(=O)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5641 |
| logD: | 1.5639 |
| logSw: | -2.5629 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.966 |
| InChI Key: | KVQUSRDPVUXSTG-UHFFFAOYSA-N |