11-(5-ethylthiophen-2-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(5-ethylthiophen-2-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(5-ethylthiophen-2-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | K813-0035 |
| Compound Name: | 11-(5-ethylthiophen-2-yl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C25 H24 N2 O S |
| Smiles: | CCc1ccc(C2C3=C(CC(CC3=O)c3ccccc3)Nc3ccccc3N2)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.081 |
| logD: | 6.0539 |
| logSw: | -5.5139 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.495 |
| InChI Key: | PAQKLJNQIMJOQI-UHFFFAOYSA-N |