C1CC1(C2=CC=CC=C2CCC3=NC(=NC=C3Cl)Cl)C(=O)N
CAS: 1566543-84-7
Name: 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]phenyl]cyclopropane-1-carboxamide
SMILES: C1CC1(C2=CC=CC=C2CCC3=NC(=NC=C3Cl)Cl)C(=O)N

Molecular Processing

Molecular formula
C16H15Cl2N3O
Molecular weight
336.22
Exact mass
335.0592
XLogP
3.09
TPSA
68.87
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
86.01

Supplementary Information

InChIKey: KDTBEIPBHBHNOY-UHFFFAOYSA-N
Synonyme
SCHEMBL15502351KDTBEIPBHBHNOY-UHFFFAOYSA-NDB-1472531-(2-(2-(2,5-Dichloropyrimidin-4-yl)ethyl)phenyl)cyclopropanecarboxamide1-[2-[2-(2,5-Dichloro-4-pyrimidinyl)ethyl]phenyl]cyclopropanecarboxamide1566543-84-7
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