AC1LXQ3Z
4-(1,3-benzodioxol-5-yl)-7,14,14-trimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 2-(1,3-benzodioxol-5-yl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine|2-(benzo[d][1,3]dioxol-5-yl)-5,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C20H18N4O3S |
|---|---|
| Molecular Weight | 394.10995 g/mol |
| LogP | 3.89442 |
| Topological Polar Surface Area | 70.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 394.10995 |
| Monoisotopic Mass | 394.10995 |
| Heavy Atoms | 28 |
| Complexity | 1273.9131 |
Chemical Identifiers
| CAS Number | 896833-71-9 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)COC(C3)(C)C)C4=NC(=NN14)C5=CC6=C(C=C5)OCO6 |
Product Overview
AC1LXQ3Z (CAS 896833-71-9), with molecular formula C20H18N4O3S and molecular weight 394.10995 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-7,14,14-trimethyl-13-oxa-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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