7-benzoyl-3,3-dimethyl-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
7-benzoyl-3,3-dimethyl-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
7-benzoyl-3,3-dimethyl-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: | 3805-1516 |
| Compound Name: | 7-benzoyl-3,3-dimethyl-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: | 511.53 |
| Molecular Formula: | C29 H25 N3 O6 |
| Smiles: | CC1(C)CC2=C(C(c3cc4c(cc3[N+]([O-])=O)OCO4)Nc3ccc(cc3N2)C(c2ccccc2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4269 |
| logD: | 5.3779 |
| logSw: | -5.4254 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.411 |
| InChI Key: | VKSOLNVBKWPCMW-MHZLTWQESA-N |