이름: 3-(4-sec-butyl-phenyl)-7-fluoro-2-[4-(2-hydroxy-ethoxy)-3,5-dimethyl-phenyl]-2,3-dihydro-1H-quinazolin-4-one
SMILES:
CCC(C)c1ccc(N2C(=O)c3ccc(F)cc3NC2c2cc(C)c(OCCO)c(C)c2)cc1Molecular Processing
Molecular formula
C28H31FN2O3
Molecular weight
462.57
Exact mass
462.2319
XLogP
6.1
TPSA
61.8
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
133.22
Supplementary Information
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