5-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-6053 |
| Compound Name: | 5-{[2-fluoro-N-(2-methylpropyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 423.5 |
| Molecular Formula: | C21 H26 F N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC(C)C)C(c2ccccc2F)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4756 |
| logD: | 3.4756 |
| logSw: | -3.7938 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.275 |
| InChI Key: | LPMSLNMJRSMSPA-UHFFFAOYSA-N |