3-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethanesulfonate
3-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V017-3978 |
| Compound Name: | 3-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 421.53 |
| Molecular Formula: | C22 H28 F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(Cc2ccc(cc2)F)C(CC(C)(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.2365 |
| logD: | 4.2365 |
| logSw: | -4.3614 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.031 |
| InChI Key: | VZSISFVQYLYCJC-UHFFFAOYSA-N |