7-chloro-11-(3-methoxyphenyl)-3-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
7-chloro-11-(3-methoxyphenyl)-3-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
7-chloro-11-(3-methoxyphenyl)-3-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4659 |
| Compound Name: | 7-chloro-11-(3-methoxyphenyl)-3-phenyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 526.94 |
| Molecular Formula: | C28 H22 Cl F3 N2 O3 |
| Smiles: | COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccccc2)Nc2cc(ccc2N1C(C(F)(F)F)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7582 |
| logD: | 4.8373 |
| logSw: | -6.3217 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.708 |
| InChI Key: | OEDBYRNSMVLIRR-UHFFFAOYSA-N |