4-chloro-2-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4564 |
| Compound Name: | 4-chloro-2-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 561.07 |
| Molecular Formula: | C28 H30 Cl F N2 O5 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(Cc1ccc(cc1)F)C(CC(C)(C)C)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5395 |
| logD: | 5.5394 |
| logSw: | -5.8626 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.032 |
| InChI Key: | DHTBOVHCOBBQFE-UHFFFAOYSA-N |