5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-3239 |
| Compound Name: | 5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 556.7 |
| Molecular Formula: | C30 H37 F N2 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccc(cc2)F)C(CC(C)C)=O)c(c1)OS(c1ccc(cc1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0334 |
| logD: | 6.0226 |
| logSw: | -5.4903 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.05 |
| InChI Key: | IEGCTMMXKPRWPL-UHFFFAOYSA-N |