이름: {2-[4-(4-chloro-phenyl)-piperazin-1-yl]-6,7-dihydro-thieno[3,2-d]pyrimidin-4-yl}-(3-morpholin-4-ylmethyl-phenyl)-amine
SMILES:
Clc1ccc(N2CCN(c3nc4c(c(Nc5cccc(CN6CCOCC6)c5)n3)SCC4)CC2)cc1Molecular Processing
Molecular formula
C27H31ClN6OS
Molecular weight
523.11
Exact mass
522.1969
XLogP
4.68
TPSA
56.76
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
2
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.407
Molar refractivity
148.16
Supplementary Information
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