11-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0057 |
| Compound Name: | 11-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C25 H24 N2 O3 S |
| Smiles: | COc1ccc(cc1OC)C1C2=C(CC(CC2=O)c2cccs2)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5796 |
| logD: | 4.5676 |
| logSw: | -4.4795 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.756 |
| InChI Key: | RVKAPMSAJHNMDA-UHFFFAOYSA-N |