이름: 4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-1,1-dioxothian-4-ol
SMILES:
CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C(F)(F)F)C3=CN=C(S3)C4(CCS(=O)(=O)CC4)OMolecular Processing
Molecular formula
C20H19F3N4O3S2
Molecular weight
484.53
Exact mass
484.0851
XLogP
4.07
TPSA
105.07
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
32
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
114.39
Supplementary Information
InChIKey: SLNNGSPVBUSVOY-UHFFFAOYSA-N
동의어
4-[5-(3-methyl-5-{[4-(trifluoromethyl)pyrimidin-2-yl]amino}phenyl)-1,3-thiazol-2-yl]tetrahydro-2H-thiopyran-4-ol 1,1-dioxideSCHEMBL2043714
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