CC1(COC1)CC(C(=O)NC2=CC=C(C=C2)C(=O)OCC=C)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)C#N)OC
Name: prop-2-enyl 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(3-methyloxetan-3-yl)propanoyl]amino]benzoate
SMILES: CC1(COC1)CC(C(=O)NC2=CC=C(C=C2)C(=O)OCC=C)N3C=C(C(=CC3=O)C4=C(C=CC(=C4)Cl)C#N)OC

Molecular Processing

Molecular formula
C30H28ClN3O6
Molecular weight
562.02
Exact mass
561.1667
XLogP
5
TPSA
119.65
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
150.55

Supplementary Information

InChIKey: BJSVERZPZVXCOG-UHFFFAOYSA-N
Synonyme
SCHEMBL16138031BJSVERZPZVXCOG-UHFFFAOYSA-NAllyl 4-({2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1(2H)-yl]-3-(3-methyloxetan-3-yl)propanoyl}amino)benzoate
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