AC1L4N0A
(10S,13S)-13-(chloromethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one
Also Known As: 3H-Pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 5-(chloromethyl)-1,2,4,5,6,8-hexahydro-2-(1-methylethyl)-, (2S-(2R*,5R*))-|(2S,5S)-5-(chloromethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one|(2S,5S)-5-(Chloromethyl)-1-methyl-2-(propan-2-yl)-2,5,6,8-tetrahydro-1H-[1,4]diazonino[7,6,5-cd]indol-3-ol|5-(Chloromethyl)-1-methyl-2-(propan-2-yl)-2,5,6,8-tetrahydro-1H-[1,4]diazonino[7,6,5-cd]indol-3-ol
| Molecular Formula | C17H22ClN3O |
|---|---|
| Molecular Weight | 319.14514 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 48.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.14514 |
| Monoisotopic Mass | 319.14514 |
| Heavy Atoms | 22 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 99423-87-7 |
|---|---|
| SMILES | CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C2C(=CC=C3)N1C)CCl |
| InChIKey | WHXNRRREEYJVKZ-LRDDRELGSA-N |
Product Overview
AC1L4N0A (CAS 99423-87-7), with molecular formula C17H22ClN3O and molecular weight 319.14514 g/mol. IUPAC: (10S,13S)-13-(chloromethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one.
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