이름: 8-isopropyl-4-(N-methyl-N-phenylamino)-2-(methylsulfanyl)pyrazolo[1,5-a]-1,3,5-triazine
SMILES:
CSc1nc(N(C)c2ccccc2)n2ncc(C(C)C)c2n1Molecular Processing
Molecular formula
C16H19N5S
Molecular weight
313.43
Exact mass
313.1361
XLogP
3.74
TPSA
46.32
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
91.16
Supplementary Information
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