2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-3612 |
| Compound Name: | 2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C23 H35 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccco2)C(NC(C)(C)C)=O)c(c1)OS(CC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.367 |
| logD: | 4.3574 |
| logSw: | -4.269 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.096 |
| InChI Key: | BQSHHYXIARAMHH-UHFFFAOYSA-N |