C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC(=CC=C4)O
Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-fluoropyrimidin-2-yl]amino]phenol
SMILES: C1COC2=C(O1)C=CC(=C2)NC3=NC(=NC=C3F)NC4=CC(=CC=C4)O

Molecular Processing

Molecular formula
C18H15FN4O3
Molecular weight
354.34
Exact mass
354.1128
XLogP
3.58
TPSA
88.53
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
94.09

Supplementary Information

InChIKey: RNSQCMGFJPZHFF-UHFFFAOYSA-N
Synonyme
SCHEMBL656182RNSQCMGFJPZHFF-UHFFFAOYSA-NN4-(3,4-ethylenedioxyphenyl)-5-fluoro-N2-(3-hydroxyphenyl)-2,4-primidinediamineN4-(3,4-ethylenedioxyphenyl)-5-fluoro-N2-(3-hydroxyphenyl)-2,4-pyrimidinediamineN4-(3,4-ethylenedioxyphenyl)-N2-(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine
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