AC1MEII8
2,2-dimethyl-5-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
Also Known As: CBMicro_015595|Oprea1_737906|BIM-0015532.P001|AG-205/37047038|2,2-dimethyl-5-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one|A1675/0071436|2,2-dimethyl-5-{4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-nitrophenyl}-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one|2,2-DIMETHYL-5-{4-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-3-NITROPHENYL}-1H,2H,3H,4H,5H,6H-BENZO[A]PHENANTHRIDIN-4-ONE|5-{3-nitro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
| Molecular Formula | C29H26N4O3S |
|---|---|
| Molecular Weight | 510.17258 g/mol |
| LogP | 6.9422 |
| Topological Polar Surface Area | 90.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 510.17258 |
| Monoisotopic Mass | 510.17258 |
| Heavy Atoms | 37 |
| Complexity | 1635.4244 |
Chemical Identifiers
| CAS Number | 5965-55-9 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC(=C(C=C5)SC6=NC=CN6C)[N+](=O)[O-])C(=O)C1)C |
Product Overview
AC1MEII8 (CAS 5965-55-9), with molecular formula C29H26N4O3S and molecular weight 510.17258 g/mol. IUPAC: 2,2-dimethyl-5-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one.
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