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[4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C26H22N5O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
MolName[4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormulaC26H22N5O4ClS
SmilesN=C(/C1=C/c(cc2)ccc2OC(c(cc2)ccc2Cl)=O)N2N=C(CC(N3CCCCC3)=O)SC2=NC1=O
InChIInChI=1S/C26H22ClN5O4S/c27-18-8-6-17(7-9-18)25(35)36-19-10-4-16(5-11-19)14-20-23(28)32-26(29-24(20)34)37-21(30-32)15-22(33)31-12-2-1-3-13-31/h4-11,14,28H,1-3,12-13,15H2
InChIKDKQAITBGJJAUCC-UHFFFAOYSA-N
TotalMolweight536.011
Molweight536.011
MonoisotopicMass535.108102
CLogP3.128
CLogS-4.373
H Acceptors9
H Donors1
TotalSurfaceArea382.8
Relative PSA0.29344
PolarSurfaceArea140.79
Druglikeness5.2475
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.62162
Fragments1
Non HAtoms37
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms6
Amides1
BasicNitrogens1
StereoCon

Request More Details | [4-[(Z)-[5-imino-7-oxo-2-(2-oxo-2-piperidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl]phenyl] 4-chlorobenzoate


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