11-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
11-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/1)
11-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8009-9752 |
| Compound Name: | 11-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 515.82 |
| Molecular Formula: | C26 H20 Cl2 N2 O3 |
| Salt: | HCl |
| Smiles: | C1C(CC(C2C(c3cc4c(cc3[Cl])OCO4)Nc3ccccc3NC1=2)=O)c1ccc(cc1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3841 |
| logD: | 6.3728 |
| logSw: | -6.484 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.592 |
| InChI Key: | HIPSWMMSPZNITG-UHFFFAOYSA-N |