이름: N-(4-(4-chloro-1H-imidazol-1-yl)-3-methoxyphenyl)-4-(4-fluorophenyl)-5,7-dihydro-4H-spiro[benzo[d]thiazole-6,2′-[1,3]dioxolan]-2-amine
SMILES:
COc1cc(Nc2nc3c(s2)CC2(CC3c3ccc(F)cc3)OCCO2)ccc1-n1cnc(Cl)c1Molecular Processing
Molecular formula
C25H22ClFN4O3S
Molecular weight
512.99
Exact mass
512.1085
XLogP
5.69
TPSA
70.43
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
35
Rings
6
Aromatic rings
4
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
131.72
Supplementary Information
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