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4-amino-5-methyl-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

4-amino-5-methyl-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

CAS: 932886-93-6

Formula: C16H23N3OS

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)N(N)C(C)=N1

IUPAC: 4-amino-5-methyl-11-(2-methylbutan-2-yl)-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1/C16H23N3OS/c1-5-16(3,4)10-6-7-11-12(8-10)21-14-13(11)15(20)19(17)9(2)18-14/h10H,5-8,17H2,1-4H3

Composition: C (62.92%), H (7.59%), N (13.76%), O (5.24%), S (10.50%)

Molar Mass: 305.44

Atom Count: 44

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 305.156183547
Formal Charge 0
FSP3 0.62
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SKRILKPPJGEAKT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.33
Topological Polar Surface Area 58.69
Polarizability 32.62
Ring Count 3
Rotatable Bond Count 2

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95% <2 Days 932886-93-6 $202.14$202.14
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