3-(3,4-dimethoxyphenyl)-10-(thiophene-2-carbonyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-10-(thiophene-2-carbonyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-10-(thiophene-2-carbonyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y600-1354 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-10-(thiophene-2-carbonyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 542.68 |
| Molecular Formula: | C30 H26 N2 O4 S2 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(c3cccs3)N(C(c3cccs3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7896 |
| logD: | 5.7177 |
| logSw: | -5.5028 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.191 |
| InChI Key: | VWOKZVKSFMFPDN-UHFFFAOYSA-N |