methyl 4-[3-(4-tert-butylphenyl)-10-(2-chlorobenzoyl)-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-tert-butylphenyl)-10-(2-chlorobenzoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
methyl 4-[3-(4-tert-butylphenyl)-10-(2-chlorobenzoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 8012-4685 |
| Compound Name: | methyl 4-[3-(4-tert-butylphenyl)-10-(2-chlorobenzoyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 619.16 |
| Molecular Formula: | C38 H35 Cl N2 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(c3ccc(cc3)C(=O)OC)N(C(c3ccccc3[Cl])=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.0559 |
| logD: | 9.014 |
| logSw: | -6.3315 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.067 |
| InChI Key: | KTDIKEKGDOVVHM-UHFFFAOYSA-N |