이름: 2-cyclopropyl-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
SMILES:
CC1=C(C2=C(C(=C1C3=CC=CC=C3)F)OC(=N2)C4CC4)C#NMolecular Processing
Molecular formula
C18H13FN2O
Molecular weight
292.31
Exact mass
292.1012
XLogP
4.69
TPSA
49.82
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
80.83
Supplementary Information
InChIKey: NWPZBWKRRDKQGC-UHFFFAOYSA-N
동의어
SCHEMBL3297431NWPZBWKRRDKQGC-UHFFFAOYSA-N2-Cyclopropyl-7-fluoro-5-methyl-6-phenylbenzoxazole-4-carbonitrile2-Cyclopropyl-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
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