2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V030-3529 |
| Compound Name: | 2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-5-(diethylamino)phenyl ethanesulfonate |
| Molecular Weight: | 441.63 |
| Molecular Formula: | C22 H39 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(CC)(=O)=O)N(CC)CC)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.724 |
| logD: | 4.7144 |
| logSw: | -4.4932 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.947 |
| InChI Key: | YXSJZSAMYJSQJM-KRWDZBQOSA-N |