11-(3-butoxyphenyl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3-butoxyphenyl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3-butoxyphenyl)-3,3-dimethyl-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8822 |
| Compound Name: | 11-(3-butoxyphenyl)-3,3-dimethyl-10-propanoyl-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: | CCCCOc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0479 |
| logD: | 5.818 |
| logSw: | -5.3503 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.326 |
| InChI Key: | WYVIQTDQUKLAOC-MHZLTWQESA-N |