2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-propylbenzene-1-sulfonamide
Chemical Structure Depiction of
2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-propylbenzene-1-sulfonamide
2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-propylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V030-7315 |
| Compound Name: | 2-{[1-(2,3-dimethylphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-propylbenzene-1-sulfonamide |
| Molecular Weight: | 541.63 |
| Molecular Formula: | C26 H31 N5 O6 S |
| Salt: | not_available |
| Smiles: | CCCNS(c1cc(ccc1Oc1c(C)c(C(N2CCCC2)=O)nn1c1cccc(C)c1C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2515 |
| logD: | 5.2514 |
| logSw: | -5.1207 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.167 |
| InChI Key: | DUSMIXHGKLNEOW-UHFFFAOYSA-N |