AC1MXXRT
5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-3-(2-methylpiperidin-1-yl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
Also Known As: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-4-(2-methylpiperidin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine|2-(3,5-dimethyl-1H-pyrazol-1-yl)-6,6-dimethyl-4-(2-methylpiperidin-1-yl)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C22H29N5OS |
|---|---|
| Molecular Weight | 411.2093 g/mol |
| LogP | 4.72394 |
| Topological Polar Surface Area | 56.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.2093 |
| Monoisotopic Mass | 411.2093 |
| Heavy Atoms | 29 |
| Complexity | 1082.7428 |
Chemical Identifiers
| CAS Number | 1008221-75-7 |
|---|---|
| SMILES | CC1CCCCN1C2=C3C4=C(COC(C4)(C)C)SC3=NC(=N2)N5C(=CC(=N5)C)C |
Product Overview
AC1MXXRT (CAS 1008221-75-7), with molecular formula C22H29N5OS and molecular weight 411.2093 g/mol. IUPAC: 5-(3,5-dimethylpyrazol-1-yl)-12,12-dimethyl-3-(2-methylpiperidin-1-yl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene.
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