Nom: dimethyl 2-(4-cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)propanedioate

SMILES: CC1=C(C2=C(C(=C1C3=CC=CC=C3)C(C(=O)OC)C(=O)OC)OC(=N2)C4CC4)C#N

Molecular Processing

Molecular formula

C23H20N2O5

Molecular weight

404.42

Exact mass

404.1372

XLogP

3.98

TPSA

102.42

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.304

Molar refractivity

107.65

Supplementary Information

InChIKey: FFRAPWBNPJDWJN-UHFFFAOYSA-N

Synonymes

FFRAPWBNPJDWJN-UHFFFAOYSA-NDimethyl 2-(4-cyano-2-cyclopropyl-5-methyl-6-phenyl-1,3-benzoxazol-7-yl)malonate