11-(naphthalen-1-yl)-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-(naphthalen-1-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(naphthalen-1-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
Compound ID: | 8014-3579 |
Compound Name: | 11-(naphthalen-1-yl)-3-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
Molecular Weight: | 422.55 |
Molecular Formula: | C27 H22 N2 O S |
Smiles: | C1C(CC(C2C(c3cccc4ccccc34)Nc3ccccc3NC1=2)=O)c1cccs1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 6.0489 |
logD: | 6.0379 |
logSw: | -7.1754 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 37.223 |
InChI Key: | UZEZRWTXYALUAT-UHFFFAOYSA-N |