N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzene-1-sulfonamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzene-1-sulfonamide--hydrogen chloride (1/1)
N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzene-1-sulfonamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 4013-2654 |
| Compound Name: | N-[3-(dibenzylamino)-2-hydroxypropyl]-N-(4-methylphenyl)-2-nitrobenzene-1-sulfonamide--hydrogen chloride (1/1) |
| Molecular Weight: | 582.12 |
| Molecular Formula: | C30 H31 N3 O5 S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)N(CC(CN(Cc1ccccc1)Cc1ccccc1)O)S(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.286 |
| logD: | 5.2674 |
| logSw: | -5.2822 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.204 |
| InChI Key: | YLOZAUDJNATGCP-NDEPHWFRSA-N |