3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4115 |
| Compound Name: | 3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C23 H31 N O5 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9122 |
| logD: | 4.9122 |
| logSw: | -4.7737 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.243 |
| InChI Key: | SDOLBQRGTNQNMK-UHFFFAOYSA-N |