3,3-dimethyl-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y010-1558 |
| Compound Name: | 3,3-dimethyl-11-(thiophen-2-yl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C21 H19 F3 N2 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.409 |
| logD: | 4.0713 |
| logSw: | -4.351 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.454 |
| InChI Key: | ROXVWJFZVWYMHU-SFHVURJKSA-N |