10-(2-ethylhexanoyl)-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-(2-ethylhexanoyl)-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(2-ethylhexanoyl)-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y508-5235 |
| Compound Name: | 10-(2-ethylhexanoyl)-11-(3-methoxy-4-propoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 532.72 |
| Molecular Formula: | C33 H44 N2 O4 |
| Smiles: | CCCCC(CC)C(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(c(c1)OC)OCCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4863 |
| logD: | 7.2565 |
| logSw: | -5.5952 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.571 |
| InChI Key: | SRLSLNUPEKAHCA-UHFFFAOYSA-N |