COC(=O)c1cnc(NCc2ccc(Cl)cc2Cl)nc1C(F)(F)F
名称: methyl 2-(2,4-dichlorobenzylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
SMILES: COC(=O)c1cnc(NCc2ccc(Cl)cc2Cl)nc1C(F)(F)F

Molecular Processing

Molecular formula
C14H10Cl2F3N3O2
Molecular weight
380.15
Exact mass
379.0102
XLogP
4.2
TPSA
64.11
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
82.16

Supplementary Information

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