(6Z)-6-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one

Formula:C24H19N4O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z)-6-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName(6Z)-6-[[1-[3-(2-chlorophenoxy)propyl]indol-3-yl]methylidene]-5-imino-[1,3]thiazolo[3,2-a]pyrimidin-7-one
MolecularFormulaC24H19N4O2ClS
SmilesN=C(/C1=C/c2cn(CCCOc(cccc3)c3Cl)c3c2cccc3)N(C=CS2)C2=NC1=O
InChIInChI=1S/C24H19ClN4O2S/c25-19-7-2-4-9-21(19)31-12-5-10-28-15-16(17-6-1-3-8-20(17)28)14-18-22(26)29-11-13-32-24(29)27-23(18)30/h1-4,6-9,11,13-15,26H,5,10,12H2
InChIKHPSQOFAXJUEKJH-UHFFFAOYSA-N
TotalMolweight462.96
Molweight462.96
MonoisotopicMass462.091723
CLogP3.3476
CLogS-4.532
H Acceptors6
H Donors1
TotalSurfaceArea336.55
Relative PSA0.23194
PolarSurfaceArea95.98
Druglikeness4.024
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Nasty Functionstwice activated DB
Shape Index0.53125
Fragments1
Non HAtoms32
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms15
Sp3Atoms5
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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