3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-0182 |
| Compound Name: | 3-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C24 H32 N2 O5 S |
| Smiles: | CC(C)N(Cc1cccc(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.131 |
| logD: | 4.1309 |
| logSw: | -4.2752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.961 |
| InChI Key: | XUFNRTAXVCNGOO-UHFFFAOYSA-N |