3-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1631 |
| Compound Name: | 3-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 480.02 |
| Molecular Formula: | C24 H30 Cl N O5 S |
| Smiles: | CC(C)CC(N(CC1CCCO1)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3293 |
| logD: | 4.3293 |
| logSw: | -4.4491 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.338 |
| InChI Key: | RLNQNCFCJHMTJM-OAQYLSRUSA-N |