AC1MTJIF structure

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

CAS: 877787-99-0
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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