4-chloro-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3589 |
| Compound Name: | 4-chloro-2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 523.05 |
| Molecular Formula: | C25 H31 Cl N2 O6 S |
| Smiles: | CC(C)CC(N(CC1CCCO1)Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7146 |
| logD: | 3.7144 |
| logSw: | -4.1734 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.687 |
| InChI Key: | UPSPNZDSGQZOHX-JOCHJYFZSA-N |