Name: 1-[5-(2-methyl-[1,3]dioxolan-2-yl)-thiophen-2-ylmethyl]-1H-pyrazol-3-ylamine
SMILES:
CC1(c2ccc(Cn3ccc(N)n3)s2)OCCO1Molecular Processing
Molecular formula
C12H15N3O2S
Molecular weight
265.34
Exact mass
265.0885
XLogP
1.79
TPSA
62.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
69.32
Supplementary Information
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