3,3-dimethyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y020-2258 |
| Compound Name: | 3,3-dimethyl-11-(pyridin-4-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 319.4 |
| Molecular Formula: | C20 H21 N3 O |
| Smiles: | CC1(C)CC2=C(C(c3ccncc3)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9224 |
| logD: | 2.9116 |
| logSw: | -3.1077 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.176 |
| InChI Key: | AGJHUQHJHISOJK-IBGZPJMESA-N |