11-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-10-(trifluoroacetyl)-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)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-0143 |
| Compound Name: | 11-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 458.44 |
| Molecular Formula: | C24 H21 F3 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc4c(c3)OCO4)N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7455 |
| logD: | 4.5157 |
| logSw: | -4.5611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.552 |
| InChI Key: | ICCZXIFLCSJLMY-NRFANRHFSA-N |