methyl 4-[3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[3-(3-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 8014-3727 |
| Compound Name: | methyl 4-[3-(3-methoxyphenyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C28 H26 N2 O4 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CC(CC2=O)c2cccc(c2)OC)Nc2ccccc2N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2218 |
| logD: | 5.2055 |
| logSw: | -5.1207 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.194 |
| InChI Key: | SWIBZQLXQNJJBO-UHFFFAOYSA-N |