11-(6-nitro-2H-1,3-benzodioxol-5-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)-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)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3805-1340 |
| Compound Name: | 11-(6-nitro-2H-1,3-benzodioxol-5-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 379.37 |
| Molecular Formula: | C20 H17 N3 O5 |
| Smiles: | C1CC2=C(C(c3cc4c(cc3[N+]([O-])=O)OCO4)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.266 |
| logD: | 3.2617 |
| logSw: | -3.7021 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.944 |
| InChI Key: | SSJRBQPNYMQLJB-FQEVSTJZSA-N |