2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4762 |
| Compound Name: | 2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 545.74 |
| Molecular Formula: | C29 H43 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCC(C)N(Cc1ccc(cc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)N(CC)CC)C(CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6324 |
| logD: | 5.6215 |
| logSw: | -5.3824 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.368 |
| InChI Key: | IFSDTOLBQQKIQC-NRFANRHFSA-N |