Название: [3-(8-Isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-(methylsulfonyl)-phenyl]-thiocarbamic acid ethyl ester
SMILES:
CCOC(=S)Nc1cc(Nc2ncc3c(n2)N(C(C)C)CC(=O)N3C)cc(S(C)(=O)=O)c1Molecular Processing
Molecular formula
C20H26N6O4S2
Molecular weight
478.6
Exact mass
478.1457
XLogP
2.55
TPSA
116.76
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
128.61
Supplementary Information
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