이름: 2-[[4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]amino]ethanol
SMILES:
CC1=C(SC(=N1)NCCO)C2=NC(=NC=C2)NC3=CC(=CC=C3)[N+](=O)[O-]Molecular Processing
Molecular formula
C16H16N6O3S
Molecular weight
372.41
Exact mass
372.1005
XLogP
2.96
TPSA
126.1
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
99.83
Supplementary Information
InChIKey: BNQOMNUPAGJBQA-UHFFFAOYSA-N
동의어
SCHEMBL4802052BNQOMNUPAGJBQA-UHFFFAOYSA-N2-{4-Methyl-5-[2-(3-nitro-phenylamino)-pyrimidin-4-yl]-thiazol-2-ylamino}-ethanol
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