3-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenyl ethanesulfonate
3-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V012-5087 |
| Compound Name: | 3-{[([1,1'-biphenyl]-4-carbonyl)(propan-2-yl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 437.56 |
| Molecular Formula: | C25 H27 N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(C(C)C)C(c2ccc(cc2)c2ccccc2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9874 |
| logD: | 4.9874 |
| logSw: | -4.7887 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.03 |
| InChI Key: | OVXMEPYUGSUEPZ-UHFFFAOYSA-N |