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(6Z)-2-(2-chlorophenyl)-6-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C25H15N4O2Cl3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-2-(2-chlorophenyl)-6-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
MolName(6Z)-2-(2-chlorophenyl)-6-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC25H15N4O2Cl3S
SmilesN=C(/C1=C/c2cccc(OCc(ccc(Cl)c3)c3Cl)c2)N2N=C(c(cccc3)c3Cl)SC2=NC1=O
InChIInChI=1S/C25H15Cl3N4O2S/c26-16-9-8-15(21(28)12-16)13-34-17-5-3-4-14(10-17)11-19-22(29)32-25(30-23(19)33)35-24(31-32)18-6-1-2-7-20(18)27/h1-12,29H,13H2
InChIKDFQVVYMOZABPLF-UHFFFAOYSA-N
TotalMolweight541.845
Molweight541.845
MonoisotopicMass539.998127
CLogP6.1097
CLogS-7.812
H Acceptors6
H Donors1
TotalSurfaceArea372.3
Relative PSA0.22213
PolarSurfaceArea103.41
Druglikeness4.9201
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.57143
Fragments1
Non HAtoms35
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
BasicNitrogens1
StereoCon

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