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[2-oxo-2-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 5,6-dichloropyridine-3-carboxylate

Formula:C24H19N3O3Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 5,6-dichloropyridine-3-carboxylate is not a drug-like molecule.
MolName[2-oxo-2-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethyl] 5,6-dichloropyridine-3-carboxylate
MolecularFormulaC24H19N3O3Cl2S2
SmilesO=C(COC(c(cc1Cl)cnc1Cl)=O)N(C(C1CCC2)c3cccs3)N=C1/C2=C\c1cccs1
InChIInChI=1S/C24H19Cl2N3O3S2/c25-18-11-15(12-27-23(18)26)24(31)32-13-20(30)29-22(19-7-3-9-34-19)17-6-1-4-14(21(17)28-29)10-16-5-2-8-33-16/h2-3,5,7-12,17,22H,1,4,6,13H2
InChIKIBCUVBJFAYXYSF-UHFFFAOYSA-N
TotalMolweight532.471
Molweight532.471
MonoisotopicMass531.024486
CLogP5.4561
CLogS-5.935
H Acceptors6
TotalSurfaceArea370.78
Relative PSA0.27733
PolarSurfaceArea128.34
Druglikeness3.1327
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Fragments1
Non HAtoms34
NonCHAtoms10
Electronegative Atoms10
StereoCenters2
Rotatable Bond6
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms7
Aromatic Nitrogens1
StereoConunknown chirality

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