4-chloro-2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V005-4639 |
| Compound Name: | 4-chloro-2-{[3-methyl-N-(propan-2-yl)butanamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 481.01 |
| Molecular Formula: | C23 H29 Cl N2 O5 S |
| Smiles: | CC(C)CC(N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4878 |
| logD: | 4.4877 |
| logSw: | -4.5717 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.047 |
| InChI Key: | KJIWUTBCVSHHFF-UHFFFAOYSA-N |