3-(4-chlorophenyl)-11-{2-[(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-chlorophenyl)-11-{2-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-chlorophenyl)-11-{2-[(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: | 3064-5085 |
| Compound Name: | 3-(4-chlorophenyl)-11-{2-[(propan-2-yl)oxy]phenyl}-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 458.99 |
| Molecular Formula: | C28 H27 Cl N2 O2 |
| Smiles: | CC(C)Oc1ccccc1C1C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6678 |
| logD: | 6.6515 |
| logSw: | -6.5036 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.366 |
| InChI Key: | ORNLUXKJFDLMNT-UHFFFAOYSA-N |