이름: tert-butyl (E)-3-{8-[2-(4-isopropyl-1,3-thiazol-2-yl)ethyl]-2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-2-propenoate
SMILES:
CC(C)c1csc(CCc2ccn3c(=O)c(/C=C/C(=O)OC(C)(C)C)c(N4CCOCC4)nc3c2)n1Molecular Processing
Molecular formula
C27H34N4O4S
Molecular weight
510.66
Exact mass
510.2301
XLogP
4.25
TPSA
86.03
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.481
Molar refractivity
142.98
Supplementary Information
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