2-methoxy-5-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
2-methoxy-5-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
2-methoxy-5-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-5549 |
| Compound Name: | 2-methoxy-5-{[3-methyl-N-(2-methylpropyl)butanamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 385.52 |
| Molecular Formula: | C19 H31 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC(C)C)C(CC(C)C)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3325 |
| logD: | 3.3325 |
| logSw: | -3.6721 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.019 |
| InChI Key: | HCNRMPARHBCCOI-UHFFFAOYSA-N |