N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V002-0648 |
| Compound Name: | N-{[1-(4-chlorophenyl)-5-(3-fluorophenoxy)-3-methyl-1H-pyrazol-4-yl]methyl}-4-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 586.08 |
| Molecular Formula: | C29 H29 Cl F N3 O5 S |
| Smiles: | Cc1c(CN(CC2CCCO2)S(c2ccc(cc2)OC)(=O)=O)c(n(c2ccc(cc2)[Cl])n1)Oc1cccc(c1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7801 |
| logD: | 5.7801 |
| logSw: | -6.0754 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.222 |
| InChI Key: | CDGOHZYEXGIFBA-AREMUKBSSA-N |