5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2016 |
| Compound Name: | 5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 556.65 |
| Molecular Formula: | C29 H33 F N2 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1cc(CN(Cc2ccc(cc2)F)C(CC(C)(C)C)=O)ccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4742 |
| logD: | 4.474 |
| logSw: | -4.4226 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.663 |
| InChI Key: | UMWYCKPRPBKFCP-UHFFFAOYSA-N |