4-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl propane-2-sulfonate
4-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V024-5628 |
| Compound Name: | 4-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 436.54 |
| Molecular Formula: | C22 H29 F N2 O4 S |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(Cc2ccc(cc2)F)C(NC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2176 |
| logD: | 4.2176 |
| logSw: | -4.1379 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.449 |
| InChI Key: | BTGJIZWJSYZAFP-UHFFFAOYSA-N |