2-{[1-tert-butyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-propylbenzene-1-sulfonamide
Chemical Structure Depiction of
2-{[1-tert-butyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-propylbenzene-1-sulfonamide
2-{[1-tert-butyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-propylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V029-9723 |
| Compound Name: | 2-{[1-tert-butyl-4-methyl-3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitro-N-propylbenzene-1-sulfonamide |
| Molecular Weight: | 509.58 |
| Molecular Formula: | C22 H31 N5 O7 S |
| Salt: | not_available |
| Smiles: | CCCNS(c1cc(ccc1Oc1c(C)c(C(N2CCOCC2)=O)nn1C(C)(C)C)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9328 |
| logD: | 2.9327 |
| logSw: | -3.5487 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.977 |
| InChI Key: | UNCFYNVGERSKPL-UHFFFAOYSA-N |