3-(4-fluorophenyl)-11-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-fluorophenyl)-11-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-fluorophenyl)-11-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3966-4682 |
| Compound Name: | 3-(4-fluorophenyl)-11-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C26 H23 F N2 O2 |
| Smiles: | COc1cccc(c1)C1C2=C(CC(CC2=O)c2ccc(cc2)F)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4249 |
| logD: | 5.4086 |
| logSw: | -5.4309 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.02 |
| InChI Key: | NEYVEJUKPTULDV-UHFFFAOYSA-N |