4-methyl-N-{1-[3-(4-methylbenzene-1-sulfonyl)-2-(3-nitrophenyl)-1,3-diazinan-1-yl]ethylidene}benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-{1-[3-(4-methylbenzene-1-sulfonyl)-2-(3-nitrophenyl)-1,3-diazinan-1-yl]ethylidene}benzene-1-sulfonamide
4-methyl-N-{1-[3-(4-methylbenzene-1-sulfonyl)-2-(3-nitrophenyl)-1,3-diazinan-1-yl]ethylidene}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5705-0482 |
| Compound Name: | 4-methyl-N-{1-[3-(4-methylbenzene-1-sulfonyl)-2-(3-nitrophenyl)-1,3-diazinan-1-yl]ethylidene}benzene-1-sulfonamide |
| Molecular Weight: | 556.66 |
| Molecular Formula: | C26 H28 N4 O6 S2 |
| Smiles: | C\C(=N/S(c1ccc(C)cc1)(=O)=O)N1CCCN(C1c1cccc(c1)[N+]([O-])=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9584 |
| logD: | 4.9584 |
| logSw: | -4.7208 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.661 |
| InChI Key: | OVUFCEMZUVXBKX-SANMLTNESA-N |