이름: 2-cyclopropyl-7-(1-hydroxypent-4-en-2-yl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES:
CC1=C(C2=C(C(=C1C3=CC=CC=C3)C(CC=C)CO)OC(=N2)C4CC4)C#NMolecular Processing
Molecular formula
C23H22N2O2
Molecular weight
358.44
Exact mass
358.1681
XLogP
5.2
TPSA
70.05
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
105.51
Supplementary Information
InChIKey: MSSVYXXLOPKLEB-UHFFFAOYSA-N
동의어
SCHEMBL3295319MSSVYXXLOPKLEB-UHFFFAOYSA-N2-Cyclopropyl-7-(1-hydroxymethylbut-3-enyl)-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
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