이름: 264
SMILES:
O=CCn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)NC5CC5)cc4F)c3s2)c1Molecular Processing
Molecular formula
C22H18FN5O3S
Molecular weight
451.48
Exact mass
451.1114
XLogP
4.57
TPSA
98.14
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
118.56
Supplementary Information
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