2-{[1-tert-butyl-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methoxyethyl)-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
2-{[1-tert-butyl-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methoxyethyl)-5-nitrobenzene-1-sulfonamide
2-{[1-tert-butyl-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methoxyethyl)-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V027-4397 |
| Compound Name: | 2-{[1-tert-butyl-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-N-(2-methoxyethyl)-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C22 H31 N5 O7 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(N2CCCC2)=O)nn(c1Oc1ccc(cc1S(NCCOC)(=O)=O)[N+]([O-])=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.7722 |
| logD: | 2.7721 |
| logSw: | -3.417 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 122.777 |
| InChI Key: | TXYDSPPZXAGMOE-UHFFFAOYSA-N |