4-methyl-N-(1-{2-(4-nitrobenzoyl)-3-[2-(pentyloxy)phenyl]diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-(1-{2-(4-nitrobenzoyl)-3-[2-(pentyloxy)phenyl]diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)benzene-1-sulfonamide
4-methyl-N-(1-{2-(4-nitrobenzoyl)-3-[2-(pentyloxy)phenyl]diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 8005-5062 |
| Compound Name: | 4-methyl-N-(1-{2-(4-nitrobenzoyl)-3-[2-(pentyloxy)phenyl]diaziridin-1-yl}-1-oxo-3-phenylpropan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 656.76 |
| Molecular Formula: | C35 H36 N4 O7 S |
| Smiles: | CCCCCOc1ccccc1C1N(C(C(Cc2ccccc2)NS(c2ccc(C)cc2)(=O)=O)=O)N1C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.6116 |
| logD: | 7.6104 |
| logSw: | -5.649 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.509 |
| InChI Key: | KLAXDZYINVRTAJ-UHFFFAOYSA-N |