AC1LDGQU
6-[4-(3-chlorophenyl)piperazin-1-yl]-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
Also Known As: VU0180393-3|4-(4-(3-chlorophenyl)piperazin-1-yl)-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine|F3348-0112|6-[4-(3-chlorophenyl)piperazin-1-yl]-4,11,13-trimethyl-3,7,8,10-tetraazatricyclo[7.4.0.0^{2,7}]trideca-1,3,5,8,10,12-hexaene|4-[4-(3-chlorophenyl)piperazin-1-yl]-2,8,10-trimethylpyrido[2',3':3,4]pyrazolo[1,5-a]pyrimidine|4-[4-(3-chlorophenyl)piperazinyl]-2,8,10-trimethyl-5-hydropyrimidino[1',2'-1,5 ]pyrazolo[3,4-b]pyridine|6-[4-(3-chlorophenyl)piperazin-1-yl]-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene
| Molecular Formula | C22H23ClN6 |
|---|---|
| Molecular Weight | 406.16727 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.16727 |
| Monoisotopic Mass | 406.16727 |
| Heavy Atoms | 29 |
| Complexity | 570.0 |
Chemical Identifiers
| CAS Number | 899411-75-7 |
|---|---|
| SMILES | CC1=CC(=NC2=NN3C(=CC(=NC3=C12)C)N4CCN(CC4)C5=CC(=CC=C5)Cl)C |
| InChIKey | SWSYYWCGHRYKEU-UHFFFAOYSA-N |
Product Overview
AC1LDGQU (CAS 899411-75-7), with molecular formula C22H23ClN6 and molecular weight 406.16727 g/mol. IUPAC: 6-[4-(3-chlorophenyl)piperazin-1-yl]-4,11,13-trimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene.