3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V024-6236 |
| Compound Name: | 3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C21 H27 F N2 O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(Cc2ccc(cc2)F)C(NC(C)(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7927 |
| logD: | 3.7927 |
| logSw: | -3.914 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.525 |
| InChI Key: | KMXUHGGHKKLZDT-UHFFFAOYSA-N |