1,4-bis(2-chloro-5-nitrobenzene-1-sulfonyl)-1,4-diazepane
Chemical Structure Depiction of
1,4-bis(2-chloro-5-nitrobenzene-1-sulfonyl)-1,4-diazepane
1,4-bis(2-chloro-5-nitrobenzene-1-sulfonyl)-1,4-diazepane
Compound characteristics
| Compound ID: | 3771-4035 |
| Compound Name: | 1,4-bis(2-chloro-5-nitrobenzene-1-sulfonyl)-1,4-diazepane |
| Molecular Weight: | 539.37 |
| Molecular Formula: | C17 H16 Cl2 N4 O8 S2 |
| Smiles: | C1CN(CCN(C1)S(c1cc(ccc1[Cl])[N+]([O-])=O)(=O)=O)S(c1cc(ccc1[Cl])[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1467 |
| logD: | 3.1467 |
| logSw: | -3.4919 |
| Hydrogen bond acceptors count: | 18 |
| Polar surface area: | 130.562 |
| InChI Key: | WQUMLZMZLMEVCI-UHFFFAOYSA-N |