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81622-91-5 | 2-METHYL-5,6,7,8,9,11-HEXAHYDRO[1]BENZOTHIENO[2,3-D]IMIDAZO[1,2-A]PYRIMIDINE
CAS No: 81622-91-5 Catalog No: AG008LZM MDL No:
Product Description
Catalog Number:
AG008LZM
Chemical Name:
2-METHYL-5,6,7,8,9,11-HEXAHYDRO[1]BENZOTHIENO[2,3-D]IMIDAZO[1,2-A]PYRIMIDINE
CAS Number:
81622-91-5
Molecular Formula:
C13H15N3S
Molecular Weight:
245.3433
IUPAC Name:
13-methyl-8-thia-10,12,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),11,13-tetraene
InChI:
InChI=1S/C13H15N3S/c1-8-6-16-7-10-9-4-2-3-5-11(9)17-12(10)15-13(16)14-8/h6H,2-5,7H2,1H3,(H,14,15)
InChI Key:
XEACFKMRYIASEC-UHFFFAOYSA-N
SMILES:
Cc1cn2c(n1)Nc1c(C2)c2CCCCc2s1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.099g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.344g/mol
Monoisotopic Mass:
245.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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