AC1MEIQB
9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one
Also Known As: CBKinase1_001042|CBKinase1_013442|AK-968/12383417|11-(5-{2-nitrophenyl}-2-furyl)-3,3-dimethyl-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one|BRD-A69628404-001-01-3|9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one|3,3-DIMETHYL-11-[5-(2-NITROPHENYL)-2-FURYL]-10-(2-PHENYLACETYL)-2,3,4,5,10,11-HEXAHYDRO-1H-DIBENZO[B,E][1,4]DIAZEPIN-1-ONE|3,3-dimethyl-11-[5-(2-nitrophenyl)furan-2-yl]-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
| Molecular Formula | C33H29N3O5 |
|---|---|
| Molecular Weight | 547.2107 g/mol |
| LogP | 7.2405 |
| Topological Polar Surface Area | 105.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 547.2107 |
| Monoisotopic Mass | 547.2107 |
| Heavy Atoms | 41 |
| Complexity | 1702.5481 |
Chemical Identifiers
| CAS Number | 352701-79-2 |
|---|---|
| SMILES | CC1(CC2=C(C(N(C3=CC=CC=C3N2)C(=O)CC4=CC=CC=C4)C5=CC=C(O5)C6=CC=CC=C6[N+](=O)[O-])C(=O)C1)C |
Product Overview
AC1MEIQB (CAS 352701-79-2), with molecular formula C33H29N3O5 and molecular weight 547.2107 g/mol. IUPAC: 9,9-dimethyl-6-[5-(2-nitrophenyl)furan-2-yl]-5-(2-phenylacetyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one.
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