2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl methanesulfonate
Chemical Structure Depiction of
2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl methanesulfonate
2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V027-5128 |
| Compound Name: | 2-({tert-butyl-N-[(furan-2-yl)methyl]carbamamido}methyl)-5-(diethylamino)phenyl methanesulfonate |
| Molecular Weight: | 451.58 |
| Molecular Formula: | C22 H33 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(Cc2ccco2)C(NC(C)(C)C)=O)c(c1)OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0032 |
| logD: | 3.9936 |
| logSw: | -3.9935 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.137 |
| InChI Key: | LPAQTGIUHRHUJM-UHFFFAOYSA-N |