AC1MTJIF
5,14,14-trimethyl-7-propan-2-ylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
Also Known As: 3,10,10-trimethyl-5-(propan-2-ylsulfanyl)-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine|5-(isopropylthio)-3,10,10-trimethyl-10,11-dihydro-8H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine
| Molecular Formula | C16H20N4OS2 |
|---|---|
| Molecular Weight | 348.10785 g/mol |
| LogP | 3.99922 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.10785 |
| Monoisotopic Mass | 348.10785 |
| Heavy Atoms | 23 |
| Complexity | 909.9645 |
Chemical Identifiers
| CAS Number | 877787-99-0 |
|---|---|
| SMILES | CC1=NN=C2N1C(=NC3=C2C4=C(S3)COC(C4)(C)C)SC(C)C |
Product Overview
AC1MTJIF (CAS 877787-99-0), with molecular formula C16H20N4OS2 and molecular weight 348.10785 g/mol. IUPAC: 5,14,14-trimethyl-7-propan-2-ylsulfanyl-13-oxa-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene.
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