Название: 2-cyclopropyl-7-[(1S,3R)-3-hydroxycyclopentyl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES:
CC1=C(C2=C(C(=C1C3=CC=CC=C3)C4CCC(C4)O)OC(=N2)C5CC5)C#NMolecular Processing
Molecular formula
C23H22N2O2
Molecular weight
358.44
Exact mass
358.1681
XLogP
5.18
TPSA
70.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
27
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
103.47
Supplementary Information
InChIKey: MWKKXVFBOZEJGY-DLBZAZTESA-N
Синонимы
SCHEMBL3293539MWKKXVFBOZEJGY-DLBZAZTESA-N2-Cyclopropyl-7-[(1S*,3R*)-3-hydroxycyclopentyl]-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
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