butyl 2-{[4-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenoxy]sulfonyl}benzoate
Chemical Structure Depiction of
butyl 2-{[4-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenoxy]sulfonyl}benzoate
butyl 2-{[4-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenoxy]sulfonyl}benzoate
Compound characteristics
| Compound ID: | V030-6256 |
| Compound Name: | butyl 2-{[4-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenoxy]sulfonyl}benzoate |
| Molecular Weight: | 518.63 |
| Molecular Formula: | C26 H34 N2 O7 S |
| Smiles: | CCCCOC(c1ccccc1S(=O)(=O)Oc1ccc(CN(CC2CCCO2)C(NCC)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8459 |
| logD: | 3.8459 |
| logSw: | -3.8562 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.682 |
| InChI Key: | CTFPEHCBVTUJMV-JOCHJYFZSA-N |