11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5991-0534 |
| Compound Name: | 11-(6-bromo-2H-1,3-benzodioxol-5-yl)-3-(3-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 519.39 |
| Molecular Formula: | C27 H23 Br N2 O4 |
| Smiles: | COc1cccc(c1)C1CC2=C(C(c3cc4c(cc3[Br])OCO4)Nc3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6115 |
| logD: | 5.6002 |
| logSw: | -5.465 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.136 |
| InChI Key: | QYLWHHKLGKVTFH-UHFFFAOYSA-N |