3-[3-(4-chlorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl hexanoate
Chemical Structure Depiction of
3-[3-(4-chlorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl hexanoate
3-[3-(4-chlorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl hexanoate
Compound characteristics
| Compound ID: | 8012-4702 |
| Compound Name: | 3-[3-(4-chlorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]phenyl hexanoate |
| Molecular Weight: | 613.2 |
| Molecular Formula: | C37 H41 Cl N2 O4 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccc(cc2)[Cl])Nc2ccccc12)c1cccc(c1)OC(CCCCC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.3851 |
| logD: | 9.0652 |
| logSw: | -6.4518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.692 |
| InChI Key: | ZHVBDCYYEBXFPA-UHFFFAOYSA-N |