Name: methyl 4-(3-(4-(4,6-dimorpholino-1,3,5-triazin-2-yl)phenyl)ureido)benzoate
SMILES:
COC(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1Molecular Processing
Molecular formula
C26H29N7O5
Molecular weight
519.56
Exact mass
519.223
XLogP
2.64
TPSA
131.04
H-bond donors
2
H-bond acceptors
10
Rotatable bonds
6
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.346
Molar refractivity
141.75
Supplementary Information
Details werden geladen…
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