3-(4-methylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-{4-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-methylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-{4-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-methylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-{4-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-4676 |
| Compound Name: | 3-(4-methylphenyl)-10-[(2E)-3-phenylprop-2-enoyl]-11-{4-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 568.72 |
| Molecular Formula: | C38 H36 N2 O3 |
| Smiles: | CC(C)Oc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(C)cc2)Nc2ccccc2N1C(/C=C/c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 8.3152 |
| logD: | 8.0742 |
| logSw: | -5.7985 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.168 |
| InChI Key: | FWIODRQTOLXIMU-UHFFFAOYSA-N |