methyl 4-[3-(4-methylphenyl)-1-oxo-10-(thiophene-2-carbonyl)-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-methylphenyl)-1-oxo-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[3-(4-methylphenyl)-1-oxo-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 4780-0037 |
| Compound Name: | methyl 4-[3-(4-methylphenyl)-1-oxo-10-(thiophene-2-carbonyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 548.66 |
| Molecular Formula: | C33 H28 N2 O4 S |
| Smiles: | Cc1ccc(cc1)C1CC2=C(C(c3ccc(cc3)C(=O)OC)N(C(c3cccs3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1831 |
| logD: | 7.139 |
| logSw: | -5.7333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.085 |
| InChI Key: | ZYWGIEIWAWOAQJ-UHFFFAOYSA-N |