11-(6-nitro-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-nitro-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-nitro-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: | 8013-1269 |
| Compound Name: | 11-(6-nitro-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: | 461.5 |
| Molecular Formula: | C24 H19 N3 O5 S |
| Smiles: | C1C(CC(C2C(c3cc4c(cc3[N+]([O-])=O)OCO4)Nc3ccccc3NC1=2)=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6098 |
| logD: | 4.5978 |
| logSw: | -4.518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.691 |
| InChI Key: | TURWHGHIEWYKLD-UHFFFAOYSA-N |