2-{[acetyl(propan-2-yl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[acetyl(propan-2-yl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
2-{[acetyl(propan-2-yl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3577 |
| Compound Name: | 2-{[acetyl(propan-2-yl)amino]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 438.93 |
| Molecular Formula: | C20 H23 Cl N2 O5 S |
| Smiles: | CC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.052 |
| logD: | 3.0519 |
| logSw: | -3.6219 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.043 |
| InChI Key: | FTBMFEHVGWDSKW-UHFFFAOYSA-N |