4-{[N-(3-methoxypropyl)-3,5-dinitrobenzamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[N-(3-methoxypropyl)-3,5-dinitrobenzamido]methyl}phenyl methanesulfonate
4-{[N-(3-methoxypropyl)-3,5-dinitrobenzamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V011-3847 |
| Compound Name: | 4-{[N-(3-methoxypropyl)-3,5-dinitrobenzamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 467.45 |
| Molecular Formula: | C19 H21 N3 O9 S |
| Smiles: | COCCCN(Cc1ccc(cc1)OS(C)(=O)=O)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1416 |
| logD: | 2.1416 |
| logSw: | -2.7405 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 127.682 |
| InChI Key: | FQDBVBSIIXYJHC-UHFFFAOYSA-N |