propan-2-yl 2-[(4-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenoxy)sulfonyl]benzoate
Chemical Structure Depiction of
propan-2-yl 2-[(4-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenoxy)sulfonyl]benzoate
propan-2-yl 2-[(4-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenoxy)sulfonyl]benzoate
Compound characteristics
| Compound ID: | V031-2101 |
| Compound Name: | propan-2-yl 2-[(4-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenoxy)sulfonyl]benzoate |
| Molecular Weight: | 475.6 |
| Molecular Formula: | C25 H33 N O6 S |
| Smiles: | CC(C)CC(N(Cc1ccc(cc1)OS(c1ccccc1C(=O)OC(C)C)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7706 |
| logD: | 4.7706 |
| logSw: | -4.5567 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.132 |
| InChI Key: | HDYFRPFYDCEZLL-UHFFFAOYSA-N |