N-{1-[3-(4-chlorophenyl)-2-(3,5-dinitrobenzoyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[3-(4-chlorophenyl)-2-(3,5-dinitrobenzoyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-methylbenzene-1-sulfonamide
N-{1-[3-(4-chlorophenyl)-2-(3,5-dinitrobenzoyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8005-4997 |
| Compound Name: | N-{1-[3-(4-chlorophenyl)-2-(3,5-dinitrobenzoyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 650.07 |
| Molecular Formula: | C30 H24 Cl N5 O8 S |
| Smiles: | Cc1ccc(cc1)S(NC(Cc1ccccc1)C(N1C(c2ccc(cc2)[Cl])N1C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.968 |
| logD: | 5.9668 |
| logSw: | -6.2261 |
| Hydrogen bond acceptors count: | 17 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 142.386 |
| InChI Key: | RGSGDSLPOXYJLD-UHFFFAOYSA-N |