1-[3-(3,4-dimethoxyphenyl)-11-(furan-2-yl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(3,4-dimethoxyphenyl)-11-(furan-2-yl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethan-1-one
1-[3-(3,4-dimethoxyphenyl)-11-(furan-2-yl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethan-1-one
Compound characteristics
| Compound ID: | F019-1010 |
| Compound Name: | 1-[3-(3,4-dimethoxyphenyl)-11-(furan-2-yl)-1-hydroxy-2,3,4,11-tetrahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethan-1-one |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C27 H26 N2 O5 |
| Smiles: | CC(N1C(C2=C(CC(CC2=Nc2ccccc12)c1ccc(c(c1)OC)OC)O)c1ccco1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2417 |
| logD: | 3.2402 |
| logSw: | -3.328 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.592 |
| InChI Key: | RYOHQUMVBIBPHS-UHFFFAOYSA-N |