2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-4260 |
| Compound Name: | 2-[(N-cyclopropyl-3,3-dimethylbutanamido)methyl]-5-(diethylamino)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 529.7 |
| Molecular Formula: | C28 H39 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C2CC2)C(CC(C)(C)C)=O)c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0321 |
| logD: | 5.0213 |
| logSw: | -4.7716 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.344 |
| InChI Key: | LRZOAVBRTSMWEF-UHFFFAOYSA-N |