butyl 2-{[4-({acetyl[(oxolan-2-yl)methyl]amino}methyl)phenoxy]sulfonyl}benzoate
Chemical Structure Depiction of
butyl 2-{[4-({acetyl[(oxolan-2-yl)methyl]amino}methyl)phenoxy]sulfonyl}benzoate
butyl 2-{[4-({acetyl[(oxolan-2-yl)methyl]amino}methyl)phenoxy]sulfonyl}benzoate
Compound characteristics
| Compound ID: | V030-6314 |
| Compound Name: | butyl 2-{[4-({acetyl[(oxolan-2-yl)methyl]amino}methyl)phenoxy]sulfonyl}benzoate |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C25 H31 N O7 S |
| Smiles: | CCCCOC(c1ccccc1S(=O)(=O)Oc1ccc(CN(CC2CCCO2)C(C)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5343 |
| logD: | 3.5343 |
| logSw: | -3.6884 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.381 |
| InChI Key: | UDMAFZSQLAZBQT-JOCHJYFZSA-N |