4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-7825 |
| Compound Name: | 4-chloro-2-{[3,3-dimethyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 495.04 |
| Molecular Formula: | C24 H31 Cl N2 O5 S |
| Smiles: | CC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(CC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9399 |
| logD: | 4.9398 |
| logSw: | -4.8531 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.047 |
| InChI Key: | UTIUXJNKSNAKDW-UHFFFAOYSA-N |