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2-[2-bromo-4-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Formula:C30H27N4O5BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-bromo-4-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide is not a drug-like molecule.
MolName2-[2-bromo-4-[(Z)-[2,4-dioxo-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide
MolecularFormulaC30H27N4O5BrS
SmilesO=C(COc(ccc(/C=C(/C(N1CC(N(CC2)CCN2c2ccccc2)=O)=O)\SC1=O)c1)c1Br)Nc1ccccc1
InChIInChI=1S/C30H27BrN4O5S/c31-24-17-21(11-12-25(24)40-20-27(36)32-22-7-3-1-4-8-22)18-26-29(38)35(30(39)41-26)19-28(37)34-15-13-33(14-16-34)23-9-5-2-6-10-23/h1-12,17-18H,13-16,19-20H2,(H,32,36)
InChIKOVFGMSPMBGDQRD-UHFFFAOYSA-N
TotalMolweight635.537
Molweight635.537
MonoisotopicMass634.088552
CLogP4.1137
CLogS-5.732
H Acceptors9
H Donors1
TotalSurfaceArea432.53
Relative PSA0.23527
PolarSurfaceArea124.56
Druglikeness6.4422
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.63415
Fragments1
Non HAtoms41
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms8
Symmetricatoms6
Amides3
Amines1
Aromatic Amines1
StereoCon

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