10-hexanoyl-11-(3-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-hexanoyl-11-(3-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-hexanoyl-11-(3-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8809 |
| Compound Name: | 10-hexanoyl-11-(3-methoxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C28 H34 N2 O3 |
| Smiles: | CCCCCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0572 |
| logD: | 5.8273 |
| logSw: | -5.2184 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.452 |
| InChI Key: | SWEXRNUITMYTMM-MHZLTWQESA-N |