3-(3,4-dimethoxyphenyl)-11-(5-ethylthiophen-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)-11-(5-ethylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3,4-dimethoxyphenyl)-11-(5-ethylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0085 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-11-(5-ethylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C27 H28 N2 O3 S |
| Smiles: | CCc1ccc(C2C3=C(CC(CC3=O)c3ccc(c(c3)OC)OC)Nc3ccccc3N2)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5732 |
| logD: | 5.546 |
| logSw: | -5.4443 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.756 |
| InChI Key: | PMNKPWZDMFFPCI-UHFFFAOYSA-N |