1-(4-chlorophenyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide

Formula:C23H23N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-chlorophenyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide is a drug-like molecule.

MolName1-(4-chlorophenyl)-4-oxo-N-(oxolan-2-ylmethyl)-2-[(E)-2-phenylethenyl]azetidine-2-carboxamide
MolecularFormulaC23H23N2O3Cl
SmilesO=C(C(CC1=O)(/C=C/c2ccccc2)N1c(cc1)ccc1Cl)NCC1OCCC1
InChIInChI=1S/C23H23ClN2O3/c24-18-8-10-19(11-9-18)26-21(27)15-23(26,13-12-17-5-2-1-3-6-17)22(28)25-16-20-7-4-14-29-20/h1-3,5-6,8-13,20H,4,7,14-16H2,(H,25,28)
InChIKKUSYNHPHZMQYAI-UHFFFAOYSA-N
TotalMolweight410.9
Molweight410.9
MonoisotopicMass410.13972
CLogP3.2213
CLogS-4.965
H Acceptors5
H Donors1
TotalSurfaceArea306.91
Relative PSA0.16647
PolarSurfaceArea58.64
Druglikeness3.2013
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44828
Fragments1
Non HAtoms29
NonCHAtoms6
Electronegative Atoms6
StereoCenters2
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms4
Amides2
StereoConunknown chirality

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