10-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8012-7756 |
| Compound Name: | 10-(cyclopropanecarbonyl)-3-(3,4-dimethoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 500.62 |
| Molecular Formula: | C29 H28 N2 O4 S |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(c3cccs3)N(C(C3CC3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.074 |
| logD: | 4.6214 |
| logSw: | -4.7786 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.695 |
| InChI Key: | PGJNQOIPYBMJNZ-UHFFFAOYSA-N |