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(6Z)-5-imino-2-(phenoxymethyl)-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C32H27N5O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-5-imino-2-(phenoxymethyl)-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.
MolName(6Z)-5-imino-2-(phenoxymethyl)-6-[[1-[2-(2-prop-2-enylphenoxy)ethyl]indol-3-yl]methylidene]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC32H27N5O3S
SmilesC=CCc(cccc1)c1OCCn1c(cccc2)c2c(/C=C(/C(N2N=C(COc3ccccc3)SC2=N2)=N)\C2=O)c1
InChIInChI=1S/C32H27N5O3S/c1-2-10-22-11-6-9-16-28(22)39-18-17-36-20-23(25-14-7-8-15-27(25)36)19-26-30(33)37-32(34-31(26)38)41-29(35-37)21-40-24-12-4-3-5-13-24/h2-9,11-16,19-20,33H,1,10,17-18,21H2
InChIKXJAWJRZLKMYLOD-UHFFFAOYSA-N
TotalMolweight561.664
Molweight561.664
MonoisotopicMass561.18346
CLogP4.0542
CLogS-4.641
H Acceptors8
H Donors1
TotalSurfaceArea425.66
Relative PSA0.23392
PolarSurfaceArea117.57
Druglikeness3.7123
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.56098
Fragments1
Non HAtoms41
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond10
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms7
Symmetricatoms2
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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