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(6Z)-6-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C27H23N6O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
MolName(6Z)-6-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(2-oxo-2-pyrrolidin-1-ylethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC27H23N6O2ClS
SmilesN=C(/C1=C/c2cn(Cc(cc3)ccc3Cl)c3c2cccc3)N2N=C(CC(N3CCCC3)=O)SC2=NC1=O
InChIInChI=1S/C27H23ClN6O2S/c28-19-9-7-17(8-10-19)15-33-16-18(20-5-1-2-6-22(20)33)13-21-25(29)34-27(30-26(21)36)37-23(31-34)14-24(35)32-11-3-4-12-32/h1-2,5-10,13,16,29H,3-4,11-12,14-15H2
InChIKBGLWAAMMVLKCLZ-UHFFFAOYSA-N
TotalMolweight531.039
Molweight531.039
MonoisotopicMass530.129171
CLogP2.8852
CLogS-3.611
H Acceptors8
H Donors1
TotalSurfaceArea378.85
Relative PSA0.25382
PolarSurfaceArea119.42
Druglikeness7.3712
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.54054
Fragments1
Non HAtoms37
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms7
Symmetricatoms4
Amides1
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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