5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1990 |
| Compound Name: | 5-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C25 H34 N2 O6 S |
| Smiles: | CC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8259 |
| logD: | 3.8258 |
| logSw: | -4.0875 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.678 |
| InChI Key: | ZABAUZNJBDXRDR-UHFFFAOYSA-N |