2-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
2-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V024-8157 |
| Compound Name: | 2-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 493.64 |
| Molecular Formula: | C25 H36 F N3 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccc(cc2)F)C(NC(C)(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8656 |
| logD: | 4.8561 |
| logSw: | -4.6879 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.348 |
| InChI Key: | INGLWKCAKBDBBV-UHFFFAOYSA-N |