methyl 4-[3-(4-fluorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Chemical Structure Depiction of
methyl 4-[3-(4-fluorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[3-(4-fluorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 8012-6899 |
| Compound Name: | methyl 4-[3-(4-fluorophenyl)-10-hexanoyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 540.64 |
| Molecular Formula: | C33 H33 F N2 O4 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccc(cc2)F)Nc2ccccc12)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.3535 |
| logD: | 7.0337 |
| logSw: | -5.7496 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.811 |
| InChI Key: | IBKWWBSFNCQSPU-UHFFFAOYSA-N |