2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-7389 |
| Compound Name: | 2-[(tert-butyl-N-cyclopropylcarbamamido)methyl]-5-(diethylamino)phenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 542.52 |
| Molecular Formula: | C25 H33 Cl2 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1ccc(CN(C2CC2)C(NC(C)(C)C)=O)c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4791 |
| logD: | 6.4683 |
| logSw: | -6.2787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.576 |
| InChI Key: | LRPGRPLOHRHVAG-UHFFFAOYSA-N |