4-chloro-2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-1858 |
| Compound Name: | 4-chloro-2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 537.07 |
| Molecular Formula: | C26 H33 Cl N2 O6 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(CC1CCCO1)C(CC(C)(C)C)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2302 |
| logD: | 4.2301 |
| logSw: | -4.5112 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.687 |
| InChI Key: | MVTGJYPYGNATQL-JOCHJYFZSA-N |