dimethyl 3,3'-(1,4-diazepane-1,4-diyldisulfonyl)bis(6-chlorobenzoate)
Chemical Structure Depiction of
dimethyl 3,3'-(1,4-diazepane-1,4-diyldisulfonyl)bis(6-chlorobenzoate)
dimethyl 3,3'-(1,4-diazepane-1,4-diyldisulfonyl)bis(6-chlorobenzoate)
Compound characteristics
| Compound ID: | 8010-5350 |
| Compound Name: | dimethyl 3,3'-(1,4-diazepane-1,4-diyldisulfonyl)bis(6-chlorobenzoate) |
| Molecular Weight: | 565.45 |
| Molecular Formula: | C21 H22 Cl2 N2 O8 S2 |
| Smiles: | COC(c1cc(ccc1[Cl])S(N1CCCN(CC1)S(c1ccc(c(c1)C(=O)OC)[Cl])(=O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9376 |
| logD: | 3.9376 |
| logSw: | -4.3368 |
| Hydrogen bond acceptors count: | 16 |
| Polar surface area: | 106.147 |
| InChI Key: | NAJUUFXHASHPTG-UHFFFAOYSA-N |