11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-1080 |
| Compound Name: | 11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 559.46 |
| Molecular Formula: | C30 H27 Br N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3cc4c(cc3[Br])OCO4)N(C(Cc3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9759 |
| logD: | 5.8738 |
| logSw: | -5.4538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.753 |
| InChI Key: | ODEZIPFQWRWNCD-LJAQVGFWSA-N |