Menu

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

Formula:C27H23N6O3FS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]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-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC27H23N6O3FS
SmilesN=C(/C1=C/c2cn(Cc(cccc3)c3F)c3c2cccc3)N2N=C(CC(N3CCOCC3)=O)SC2=NC1=O
InChIInChI=1S/C27H23FN6O3S/c28-21-7-3-1-5-17(21)15-33-16-18(19-6-2-4-8-22(19)33)13-20-25(29)34-27(30-26(20)36)38-23(31-34)14-24(35)32-9-11-37-12-10-32/h1-8,13,16,29H,9-12,14-15H2
InChIKJUIZTIUGPMHXGM-UHFFFAOYSA-N
TotalMolweight530.583
Molweight530.583
MonoisotopicMass530.153637
CLogP1.558
CLogS-2.57
H Acceptors9
H Donors1
TotalSurfaceArea379.78
Relative PSA0.27953
PolarSurfaceArea128.65
Druglikeness5.192
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.52632
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond5
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms8
Symmetricatoms2
Amides1
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

Request More Details | (6Z)-6-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments