5-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-3678 |
| Compound Name: | 5-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 542.63 |
| Molecular Formula: | C28 H31 F N2 O6 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)F)Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9585 |
| logD: | 3.9584 |
| logSw: | -4.1158 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.663 |
| InChI Key: | DRFMHYANJXAFJQ-UHFFFAOYSA-N |