3,3-dimethyl-11-[5-(4-nitrophenyl)furan-2-yl]-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-[5-(4-nitrophenyl)furan-2-yl]-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-[5-(4-nitrophenyl)furan-2-yl]-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3045-0184 |
| Compound Name: | 3,3-dimethyl-11-[5-(4-nitrophenyl)furan-2-yl]-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 547.61 |
| Molecular Formula: | C33 H29 N3 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c4ccc(cc4)[N+]([O-])=O)o3)N(C(Cc3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7198 |
| logD: | 6.5023 |
| logSw: | -5.72 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.418 |
| InChI Key: | RTAUFJNZUXTZAX-YTTGMZPUSA-N |