{1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazol-3-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazol-3-yl}(pyrrolidin-1-yl)methanone
{1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazol-3-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | V007-7746 |
| Compound Name: | {1-(2,5-dimethylphenyl)-4-methyl-5-[4-nitro-2-(pyrrolidine-1-sulfonyl)phenoxy]-1H-pyrazol-3-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 553.64 |
| Molecular Formula: | C27 H31 N5 O6 S |
| Smiles: | Cc1ccc(C)c(c1)n1c(c(C)c(C(N2CCCC2)=O)n1)Oc1ccc(cc1S(N1CCCC1)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9496 |
| logD: | 4.9496 |
| logSw: | -4.7792 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 103.372 |
| InChI Key: | JXIQEMVOIZXSSC-UHFFFAOYSA-N |