butyl 2-{[4-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenoxy]sulfonyl}benzoate
Chemical Structure Depiction of
butyl 2-{[4-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenoxy]sulfonyl}benzoate
butyl 2-{[4-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenoxy]sulfonyl}benzoate
Compound characteristics
| Compound ID: | V030-6326 |
| Compound Name: | butyl 2-{[4-({2-methyl-N-[(oxolan-2-yl)methyl]propanamido}methyl)phenoxy]sulfonyl}benzoate |
| Molecular Weight: | 517.64 |
| Molecular Formula: | C27 H35 N O7 S |
| Smiles: | CCCCOC(c1ccccc1S(=O)(=O)Oc1ccc(CN(CC2CCCO2)C(C(C)C)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4535 |
| logD: | 4.4535 |
| logSw: | -4.4054 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.913 |
| InChI Key: | KQUDRNQJLXZKSF-HSZRJFAPSA-N |