4-chloro-2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl methanesulfonate
Chemical Structure Depiction of
4-chloro-2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl methanesulfonate
4-chloro-2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V025-6202 |
| Compound Name: | 4-chloro-2-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl methanesulfonate |
| Molecular Weight: | 417.95 |
| Molecular Formula: | C19 H28 Cl N O5 S |
| Smiles: | CC(C)(C)CC(N(CC1CCCO1)Cc1cc(ccc1OS(C)(=O)=O)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4081 |
| logD: | 3.4081 |
| logSw: | -3.79 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.812 |
| InChI Key: | WSJNJFUDBBOHMQ-MRXNPFEDSA-N |