5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V001-0239 |
| Compound Name: | 5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C21 H33 N O6 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC2CCCO2)C(CC(C)(C)C)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7065 |
| logD: | 2.7065 |
| logSw: | -3.0658 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.402 |
| InChI Key: | YVIVQVYBUQSNFM-QGZVFWFLSA-N |