11-(2-bromo-4,5-dimethoxyphenyl)-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-(2-bromo-4,5-dimethoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(2-bromo-4,5-dimethoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5991-0557 |
| Compound Name: | 11-(2-bromo-4,5-dimethoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 511.44 |
| Molecular Formula: | C25 H23 Br N2 O3 S |
| Smiles: | COc1cc(C2C3=C(CC(CC3=O)c3cccs3)Nc3ccccc3N2)c(cc1OC)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9864 |
| logD: | 4.9781 |
| logSw: | -4.6855 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.756 |
| InChI Key: | PJOAFEBZPSBEJN-UHFFFAOYSA-N |