11-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-3627 |
| Compound Name: | 11-(6-chloro-2H-1,3-benzodioxol-5-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C24 H19 Cl N2 O3 S |
| Smiles: | C1C(CC(C2C(c3cc4c(cc3[Cl])OCO4)Nc3ccccc3NC1=2)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3308 |
| logD: | 5.3225 |
| logSw: | -5.9873 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.61 |
| InChI Key: | TWQKDUQVTPTQCC-UHFFFAOYSA-N |