5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl methanesulfonate
Chemical Structure Depiction of
5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl methanesulfonate
5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V006-3787 |
| Compound Name: | 5-(diethylamino)-2-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl methanesulfonate |
| Molecular Weight: | 464.6 |
| Molecular Formula: | C24 H33 F N2 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccc(cc2)F)C(CC(C)C)=O)c(c1)OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4301 |
| logD: | 4.4205 |
| logSw: | -4.2615 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.894 |
| InChI Key: | IJMDHIYBPBISCZ-UHFFFAOYSA-N |