11-(2H-1,3-benzodioxol-5-yl)-10-benzoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(2H-1,3-benzodioxol-5-yl)-10-benzoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(2H-1,3-benzodioxol-5-yl)-10-benzoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3045-0014 |
| Compound Name: | 11-(2H-1,3-benzodioxol-5-yl)-10-benzoyl-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C29 H26 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc4c(c3)OCO4)N(C(c3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3309 |
| logD: | 5.3036 |
| logSw: | -5.4455 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.28 |
| InChI Key: | CKWZSLLEWVTVIS-MHZLTWQESA-N |