Name: 7-(imidazolylcarbonyl)-(1H,3H,5H)-(1)-benzopyrano-(2,3-d)-pyrimidine-4-one-2-thione
SMILES:
O=C(c1ccc2c(c1)Cc1c([nH]c(=S)[nH]c1=O)O2)c1ncc[nH]1Molecular Processing
Molecular formula
C15H10N4O3S
Molecular weight
326.34
Exact mass
326.0474
XLogP
2.08
TPSA
103.63
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
83.59
Supplementary Information
Details werden geladen…
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