AC1MXQGT
[4-(5-acetyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)-2-ethoxyphenyl] acetate
Also Known As: ChemDiv1_003839|Oprea1_621212|HMS597O11|4-(10-acetyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)-2-ethoxyphenyl acetate|AK-968/13150305|SR-01000433164-1|[4-(5-acetyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)-2-ethoxyphenyl] acetate|4-(10-acetyl-1-hydroxy-3,3-dimethyl-3,4,10,11-tetrahydro-2H-dibenzo[b,e][1,4]diazepin-11-yl)-2-ethoxyphenyl acetate
| Molecular Formula | C27H30N2O5 |
|---|---|
| Molecular Weight | 462.21548 g/mol |
| LogP | 5.1735 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.21548 |
| Monoisotopic Mass | 462.21548 |
| Heavy Atoms | 34 |
| Complexity | 1197.2567 |
Chemical Identifiers
| CAS Number | 353772-48-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC4=CC=CC=C4N2C(=O)C)OC(=O)C |
Product Overview
AC1MXQGT (CAS 353772-48-2), with molecular formula C27H30N2O5 and molecular weight 462.21548 g/mol. IUPAC: [4-(5-acetyl-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-6-yl)-2-ethoxyphenyl] acetate.
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