2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-3785 |
| Compound Name: | 2-methoxy-5-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C24 H32 N2 O6 S |
| Smiles: | CC(C)CC(N(Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3738 |
| logD: | 3.3736 |
| logSw: | -3.815 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.678 |
| InChI Key: | HEKBDOQHLKUQDY-UHFFFAOYSA-N |