N-(1-{3-[2-(heptyloxy)phenyl]-2-(4-nitrobenzoyl)diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(1-{3-[2-(heptyloxy)phenyl]-2-(4-nitrobenzoyl)diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-sulfonamide
N-(1-{3-[2-(heptyloxy)phenyl]-2-(4-nitrobenzoyl)diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8005-5067 |
| Compound Name: | N-(1-{3-[2-(heptyloxy)phenyl]-2-(4-nitrobenzoyl)diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 684.81 |
| Molecular Formula: | C37 H40 N4 O7 S |
| Smiles: | CCCCCCCOc1ccccc1C1N(C(C(Cc2ccccc2)NS(c2ccc(C)cc2)(=O)=O)=O)N1C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.6034 |
| logD: | 8.6023 |
| logSw: | -5.7266 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.509 |
| InChI Key: | AZOZFSBYRDVUBM-UHFFFAOYSA-N |