N-{1-[2-(3,5-dinitrobenzoyl)-3-(2-hydroxyphenyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{1-[2-(3,5-dinitrobenzoyl)-3-(2-hydroxyphenyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-methylbenzene-1-sulfonamide
N-{1-[2-(3,5-dinitrobenzoyl)-3-(2-hydroxyphenyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8005-4991 |
| Compound Name: | N-{1-[2-(3,5-dinitrobenzoyl)-3-(2-hydroxyphenyl)diaziridin-1-yl]-1-oxo-3-phenylpropan-2-yl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 631.62 |
| Molecular Formula: | C30 H25 N5 O9 S |
| Smiles: | Cc1ccc(cc1)S(NC(Cc1ccccc1)C(N1C(c2ccccc2O)N1C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1172 |
| logD: | 5.1161 |
| logSw: | -4.7227 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 158.934 |
| InChI Key: | JBKRFBGYALAVAK-UHFFFAOYSA-N |