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(6Z)-6-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C25H22N5O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
MolName(6Z)-6-[(3-chloro-4-phenylmethoxyphenyl)methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC25H22N5O4ClS
SmilesN=C(/C1=C/c(cc2)cc(Cl)c2OCc2ccccc2)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O
InChIInChI=1S/C25H22ClN5O4S/c26-19-13-17(6-7-20(19)35-15-16-4-2-1-3-5-16)12-18-23(27)31-25(28-24(18)33)36-21(29-31)14-22(32)30-8-10-34-11-9-30/h1-7,12-13,27H,8-11,14-15H2
InChIKWHMAOEBGQATEMW-UHFFFAOYSA-N
TotalMolweight524
Molweight524
MonoisotopicMass523.108102
CLogP1.8816
CLogS-3.355
H Acceptors9
H Donors1
TotalSurfaceArea375.05
Relative PSA0.2914
PolarSurfaceArea132.95
Druglikeness6.574
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.61111
Fragments1
Non HAtoms36
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms9
Symmetricatoms4
Amides1
BasicNitrogens1
StereoCon

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