5-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V024-8123 |
| Compound Name: | 5-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 452.54 |
| Molecular Formula: | C22 H29 F N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(Cc2ccc(cc2)F)C(NC(C)(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.572 |
| logD: | 3.572 |
| logSw: | -3.8011 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.242 |
| InChI Key: | XBPWHDNZAZMWPB-UHFFFAOYSA-N |