10-hexanoyl-3,11-diphenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-hexanoyl-3,11-diphenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-hexanoyl-3,11-diphenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-8212 |
| Compound Name: | 10-hexanoyl-3,11-diphenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 464.61 |
| Molecular Formula: | C31 H32 N2 O2 |
| Smiles: | CCCCCC(N1C(C2=C(CC(CC2=O)c2ccccc2)Nc2ccccc12)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.2423 |
| logD: | 6.9225 |
| logSw: | -5.6599 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.637 |
| InChI Key: | MLLHNAXTYKLNBH-UHFFFAOYSA-N |