3-(3-methoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3-(3-methoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3-(3-methoxyphenyl)-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
Compound ID: | 8014-3595 |
Compound Name: | 3-(3-methoxyphenyl)-11-(thiophen-2-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: | COc1cccc(c1)C1CC2=C(C(c3cccs3)Nc3ccccc3N2)C(C1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.8539 |
logD: | 4.8268 |
logSw: | -4.6676 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 45.039 |
InChI Key: | XDBUICCCAGCPKT-UHFFFAOYSA-N |