3,3-dimethyl-10-(phenylacetyl)-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-(phenylacetyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-10-(phenylacetyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3045-0136 |
| Compound Name: | 3,3-dimethyl-10-(phenylacetyl)-11-(pyridin-3-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C28 H27 N3 O2 |
| Smiles: | CC1(C)CC2=C(C(c3cccnc3)N(C(Cc3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4303 |
| logD: | 4.3186 |
| logSw: | -4.111 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.155 |
| InChI Key: | VRJMRNQSILBZHL-MHZLTWQESA-N |