3-(4-methoxyphenyl)-11-(thiophen-3-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-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(4-methoxyphenyl)-11-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3170-5265 |
| Compound Name: | 3-(4-methoxyphenyl)-11-(thiophen-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C24 H22 N2 O2 S |
| Smiles: | COc1ccc(cc1)C1CC2=C(C(c3ccsc3)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0703 |
| logD: | 5.0524 |
| logSw: | -4.6582 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.039 |
| InChI Key: | NTRBLVCPTJLSQU-UHFFFAOYSA-N |