3,3-dimethyl-10-(trifluoroacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-10-(trifluoroacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-10-(trifluoroacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8732 |
| Compound Name: | 3,3-dimethyl-10-(trifluoroacetyl)-11-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 504.51 |
| Molecular Formula: | C26 H27 F3 N2 O5 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)OC)OC)OC)N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5146 |
| logD: | 4.2848 |
| logSw: | -4.4242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.414 |
| InChI Key: | CRJHXFPNGHDAIO-QFIPXVFZSA-N |