Name: [6-chloro-2-oxo-3-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]chromen-7-yl] butanoate

SMILES: CCCC(=O)OC1=C(C=C2C=C(C(=O)OC2=C1)C(=O)NCC(=O)OCC3=CC=CC=C3)Cl

Molecular Processing

Molecular formula

C23H20ClNO7

Molecular weight

457.87

Exact mass

457.0928

XLogP

3.63

TPSA

111.91

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

0.217

Molar refractivity

116.61

Supplementary Information

InChIKey: FZWQPIMWAVRSTA-UHFFFAOYSA-N

Synonyme

SCHEMBL531558FZWQPIMWAVRSTA-UHFFFAOYSA-N7-butyryloxy-3-benzyloxycarbonylmethylaminocarbonyl-6-chlorocoumarin