3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5520 |
| Compound Name: | 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C22 H28 N2 O5 S |
| Smiles: | CC(C)C(N(Cc1cccc(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2773 |
| logD: | 3.2772 |
| logSw: | -3.6739 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.488 |
| InChI Key: | GRCGZWNRMBFQIY-UHFFFAOYSA-N |