2-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
2-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-1587 |
| Compound Name: | 2-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 481.99 |
| Molecular Formula: | C22 H21 Cl F N O4 S2 |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8829 |
| logD: | 5.8829 |
| logSw: | -5.9466 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.644 |
| InChI Key: | BCTNPXMGQFISLT-HNNXBMFYSA-N |