N-(butan-2-yl)-2-{[1-(3-chlorophenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[1-(3-chlorophenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
N-(butan-2-yl)-2-{[1-(3-chlorophenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | V030-6107 |
| Compound Name: | N-(butan-2-yl)-2-{[1-(3-chlorophenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]oxy}-5-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 562.04 |
| Molecular Formula: | C25 H28 Cl N5 O6 S |
| Salt: | not_available |
| Smiles: | CCC(C)NS(c1cc(ccc1Oc1c(C)c(C(N2CCCC2)=O)nn1c1cccc(c1)[Cl])[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.05 |
| logD: | 5.0498 |
| logSw: | -5.0969 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.281 |
| InChI Key: | RKSPQZFTMGHQCN-INIZCTEOSA-N |