3,3-dimethyl-10-(3-methylbutanoyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-10-(3-methylbutanoyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-10-(3-methylbutanoyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 4038-0169 |
| Compound Name: | 3,3-dimethyl-10-(3-methylbutanoyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C25 H29 N3 O2 |
| Smiles: | CC(C)CC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2142 |
| logD: | 4.0294 |
| logSw: | -4.0415 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.427 |
| InChI Key: | DHGRMELLGORWSB-DEOSSOPVSA-N |