AC1MQQCU
6-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Also Known As: 11-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol|11-(3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-1-ol|6-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
| Molecular Formula | C28H31N5O4 |
|---|---|
| Molecular Weight | 501.2376 g/mol |
| LogP | 5.68694 |
| Topological Polar Surface Area | 111.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.2376 |
| Monoisotopic Mass | 501.2376 |
| Heavy Atoms | 37 |
| Complexity | 1452.7444 |
Chemical Identifiers
| CAS Number | 944779-71-9 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=C(C=CC(=C2)C3C4=C(CC(CC4=O)(C)C)NC5=CC=CC=C5N3)OC)C)[N+](=O)[O-] |
Product Overview
AC1MQQCU (CAS 944779-71-9), with molecular formula C28H31N5O4 and molecular weight 501.2376 g/mol. IUPAC: 6-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one.