3,3-dimethyl-10-propanoyl-11-(3-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-10-propanoyl-11-(3-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-10-propanoyl-11-(3-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8796 |
| Compound Name: | 3,3-dimethyl-10-propanoyl-11-(3-propoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 432.56 |
| Molecular Formula: | C27 H32 N2 O3 |
| Smiles: | CCCOc1cccc(c1)C1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5749 |
| logD: | 5.3451 |
| logSw: | -5.4099 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.326 |
| InChI Key: | XBPUHAZGAJUOGE-SANMLTNESA-N |