methyl 4-[3-(4-tert-butylphenyl)-10-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-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-(cyclopropanecarbonyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate
Compound characteristics
| Compound ID: | 8012-4904 |
| Compound Name: | methyl 4-[3-(4-tert-butylphenyl)-10-(cyclopropanecarbonyl)-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl]benzoate |
| Molecular Weight: | 548.68 |
| Molecular Formula: | C35 H36 N2 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC2=C(C(c3ccc(cc3)C(=O)OC)N(C(C3CC3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.8385 |
| logD: | 7.5187 |
| logSw: | -5.8046 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.59 |
| InChI Key: | KVLDDYINIVMPGU-UHFFFAOYSA-N |