3-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1066 |
| Compound Name: | 3-{[(butan-2-yl)(thiophene-2-carbonyl)amino]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H22 F N O4 S2 |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.074 |
| logD: | 5.074 |
| logSw: | -4.8127 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.558 |
| InChI Key: | KEBRLCIPNLKHEW-INIZCTEOSA-N |