이름: 4-oxo-2-phenyl-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-7-carboxylic acid
SMILES:
O=C(O)c1ccc2nc3sc(-c4ccccc4)cc3c(=O)n2c1Molecular Processing
Molecular formula
C17H10N2O3S
Molecular weight
322.35
Exact mass
322.0412
XLogP
3.27
TPSA
71.67
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
89.24
Supplementary Information
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