11-(3-bromo-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-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-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: | 8014-3654 |
| Compound Name: | 11-(3-bromo-4-methoxyphenyl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 481.41 |
| Molecular Formula: | C24 H21 Br N2 O2 S |
| Smiles: | COc1ccc(cc1[Br])C1C2=C(CC(CC2=O)c2cccs2)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.336 |
| logD: | 5.324 |
| logSw: | -5.394 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.125 |
| InChI Key: | LRLFNDUUWCQSOU-UHFFFAOYSA-N |