4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3578 |
| Compound Name: | 4-chloro-2-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 509.02 |
| Molecular Formula: | C24 H29 Cl N2 O6 S |
| Smiles: | CC(C)C(N(CC1CCCO1)Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3542 |
| logD: | 3.3541 |
| logSw: | -3.8043 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.214 |
| InChI Key: | GVZYFJWUWKPUAG-OAQYLSRUSA-N |