2,2'-[piperazine-1,4-diyldi(butane-4,1-diyl)]bis(5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione)--hydrogen chloride (1/2)
Chemical Structure Depiction of
2,2'-[piperazine-1,4-diyldi(butane-4,1-diyl)]bis(5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione)--hydrogen chloride (1/2)
2,2'-[piperazine-1,4-diyldi(butane-4,1-diyl)]bis(5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione)--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 4386-0356 |
| Compound Name: | 2,2'-[piperazine-1,4-diyldi(butane-4,1-diyl)]bis(5-chloro-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione)--hydrogen chloride (1/2) |
| Molecular Weight: | 638.46 |
| Molecular Formula: | C28 H38 Cl2 N4 O4 |
| Salt: | 2HCl |
| Smiles: | C(CCN1C(C2CC=C(CC2C1=O)[Cl])=O)CN1CCN(CCCCN2C(C3CC=C(CC3C2=O)[Cl])=O)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3308 |
| logD: | 0.6592 |
| logSw: | -3.0604 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 66.858 |
| InChI Key: | RDYNLGDFVJMISN-UHFFFAOYSA-N |