2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-0177 |
| Compound Name: | 2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 546.73 |
| Molecular Formula: | C28 H42 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)N(CC)CC)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1823 |
| logD: | 5.1714 |
| logSw: | -5.0456 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.862 |
| InChI Key: | OCPHZHBKYNXKPR-FQEVSTJZSA-N |