1,4-bis(2-methyl-5-nitrobenzene-1-sulfonyl)-1,4-diazepane
Chemical Structure Depiction of
1,4-bis(2-methyl-5-nitrobenzene-1-sulfonyl)-1,4-diazepane
1,4-bis(2-methyl-5-nitrobenzene-1-sulfonyl)-1,4-diazepane
Compound characteristics
| Compound ID: | 4314-0163 |
| Compound Name: | 1,4-bis(2-methyl-5-nitrobenzene-1-sulfonyl)-1,4-diazepane |
| Molecular Weight: | 498.53 |
| Molecular Formula: | C19 H22 N4 O8 S2 |
| Smiles: | Cc1ccc(cc1S(N1CCCN(CC1)S(c1cc(ccc1C)[N+]([O-])=O)(=O)=O)(=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2775 |
| logD: | 3.2775 |
| logSw: | -3.4612 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 130.562 |
| InChI Key: | CDYDGRMDXURGJJ-UHFFFAOYSA-N |