5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl methanesulfonate
5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | V024-8055 |
| Compound Name: | 5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl methanesulfonate |
| Molecular Weight: | 413.53 |
| Molecular Formula: | C20 H31 N O6 S |
| Smiles: | CC(C)(C)CC(N(CC1CCCO1)Cc1ccc(c(c1)OS(C)(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3427 |
| logD: | 2.3427 |
| logSw: | -2.7465 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.442 |
| InChI Key: | CIRIBZCGXLSGFA-MRXNPFEDSA-N |