이름: [4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
SMILES:
Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1Molecular Processing
Molecular formula
C14H12N6O2S
Molecular weight
328.36
Exact mass
328.0742
XLogP
3.14
TPSA
119.86
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
88.67
Supplementary Information
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