11-(3-bromo-5-ethoxy-4-methoxyphenyl)-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-bromo-5-ethoxy-4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5991-0682 |
| Compound Name: | 11-(3-bromo-5-ethoxy-4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 525.46 |
| Molecular Formula: | C26 H25 Br N2 O3 S |
| Smiles: | CCOc1cc(cc(c1OC)[Br])C1C2=C(CC(CC2=O)c2cccs2)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.721 |
| logD: | 5.709 |
| logSw: | -5.4123 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.422 |
| InChI Key: | GWFQPXVRAYVOEK-UHFFFAOYSA-N |