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(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone

Formula:C27H26N3O4ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone is not a drug-like molecule.
MolName(4-chloro-3-morpholin-4-ylsulfonylphenyl)-[(7Z)-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]methanone
MolecularFormulaC27H26N3O4ClS3
SmilesO=C(c(cc1)cc(S(N2CCOCC2)(=O)=O)c1Cl)N(C(C1CCC2)c3cccs3)N=C1/C2=C\c1cccs1
InChIInChI=1S/C27H26ClN3O4S3/c28-22-9-8-19(17-24(22)38(33,34)30-10-12-35-13-11-30)27(32)31-26(23-7-3-15-37-23)21-6-1-4-18(25(21)29-31)16-20-5-2-14-36-20/h2-3,5,7-9,14-17,21,26H,1,4,6,10-13H2
InChIKCDNCQILTCHJXMP-UHFFFAOYSA-N
TotalMolweight588.171
Molweight588.171
MonoisotopicMass587.077394
CLogP5.2385
CLogS-5.534
H Acceptors7
TotalSurfaceArea405.51
Relative PSA0.27361
PolarSurfaceArea144.14
Druglikeness2.6177
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44737
Fragments1
Non HAtoms38
NonCHAtoms11
Electronegative Atoms11
StereoCenters2
Rotatable Bond4
Rings Closures6
Small Rings6
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms11
Symmetricatoms3
Amides1
StereoConunknown chirality

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