3,3-dimethyl-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/2)
Chemical Structure Depiction of
3,3-dimethyl-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/2)
3,3-dimethyl-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | 3393-0127 |
| Compound Name: | 3,3-dimethyl-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/2) |
| Molecular Weight: | 392.33 |
| Molecular Formula: | C20 H21 N3 O |
| Salt: | 2HCl |
| Smiles: | CC1(C)CC2=C(C(c3cccnc3)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0042 |
| logD: | 2.9942 |
| logSw: | -3.0127 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.266 |
| InChI Key: | OXHCYXWMAGJQFK-IBGZPJMESA-N |