이름: N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)-1,3-benzodioxole-5-carboxamide
SMILES:
COc1cc(Nc2ncc(C(C)NC(=O)c3ccc4c(c3)OCO4)nn2)cc(OC)c1OCMolecular Processing
Molecular formula
C22H23N5O6
Molecular weight
453.46
Exact mass
453.1648
XLogP
2.86
TPSA
125.95
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
117.65
Supplementary Information
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