10-propanoyl-3-(thiophen-2-yl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-propanoyl-3-(thiophen-2-yl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-propanoyl-3-(thiophen-2-yl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4707 |
| Compound Name: | 10-propanoyl-3-(thiophen-2-yl)-11-[4-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 496.55 |
| Molecular Formula: | C27 H23 F3 N2 O2 S |
| Smiles: | CCC(N1C(C2=C(CC(CC2=O)c2cccs2)Nc2ccccc12)c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1878 |
| logD: | 5.9329 |
| logSw: | -5.664 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.656 |
| InChI Key: | ALJFDROAVDRWKD-UHFFFAOYSA-N |