5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-3552 |
| Compound Name: | 5-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C23 H30 F N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(Cc2ccc(cc2)F)C(CC(C)(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0158 |
| logD: | 4.0158 |
| logSw: | -4.1825 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.748 |
| InChI Key: | CAAGNTYOPXOURL-UHFFFAOYSA-N |