3-(4-methoxyphenyl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(4-methoxyphenyl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-methoxyphenyl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3064-5084 |
| Compound Name: | 3-(4-methoxyphenyl)-11-(5-methylthiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C25 H24 N2 O2 S |
| Smiles: | Cc1ccc(C2C3=C(CC(CC3=O)c3ccc(cc3)OC)Nc3ccccc3N2)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6907 |
| logD: | 5.6635 |
| logSw: | -5.5338 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.039 |
| InChI Key: | KXNBRTWNOAOXCD-UHFFFAOYSA-N |