C19H18N3O3Cl | Cheminformatics

(4R)-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

Formula:C19H18N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (4R)-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is a drug-like molecule.

MolName(4R)-4-(4-chlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
MolecularFormulaC19H18N3O3Cl
SmilesCC(NC(N[C@@H]1c(cc2)ccc2Cl)=O)=C1C(Nc(cc1)ccc1OC)=O
InChIInChI=1S/C19H18ClN3O3/c1-11-16(18(24)22-14-7-9-15(26-2)10-8-14)17(23-19(25)21-11)12-3-5-13(20)6-4-12/h3-10,17H,1-2H3,(H,22,24)(H2,21,23,25)/t17-/m1/s1
InChIKHCHUEVKILHBNMY-QGZVFWFLSA-N
TotalMolweight371.823
Molweight371.823
MonoisotopicMass371.103669
CLogP3.0726
CLogS-4.472
H Acceptors6
H Donors3
TotalSurfaceArea274.76
Relative PSA0.25644
PolarSurfaceArea79.46
Druglikeness3.9933
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.57692
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms4
Amides3
StereoConthis enantiomer

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