C1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)CCCCCl)I
Name: 3-benzoyl-1-(4-chlorobutyl)-5-iodopyrimidine-2,4-dione
SMILES: C1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)CCCCCl)I

Molecular Processing

Molecular formula
C15H14ClIN2O3
Molecular weight
432.64
Exact mass
431.9738
XLogP
2.32
TPSA
61.07
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
93.8

Supplementary Information

InChIKey: MKGCKOHVKMKAGH-UHFFFAOYSA-N
Synonyms
SCHEMBL3553791MKGCKOHVKMKAGH-UHFFFAOYSA-N3-Benzoyl-1-(4-chloro-butyl)-5-iodo-1H-pyrimidine-2,4-dione
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Involved in 6 reactions→

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