Menu

6-bromo-3-[2-[(7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-4-yl]chromen-2-one

Formula:C32H22N3O2BrF2S Mutagenic:high Tumorigenic:high Reproductive Effective:none 6-bromo-3-[2-[(7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-4-yl]chromen-2-one is not a drug-like molecule.
MolName6-bromo-3-[2-[(7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-4-yl]chromen-2-one
MolecularFormulaC32H22N3O2BrF2S
SmilesO=C1Oc(ccc(Br)c2)c2C=C1c1csc(N(C(C2CCC3)c(cc4)ccc4F)N=C2/C3=C\c(cc2)ccc2F)n1
InChIInChI=1S/C32H22BrF2N3O2S/c33-22-8-13-28-21(15-22)16-26(31(39)40-28)27-17-41-32(36-27)38-30(19-6-11-24(35)12-7-19)25-3-1-2-20(29(25)37-38)14-18-4-9-23(34)10-5-18/h4-17,25,30H,1-3H2
InChIKGZMJUTZEVPGKDW-UHFFFAOYSA-N
TotalMolweight630.512
Molweight630.512
MonoisotopicMass629.058414
CLogP8.0054
CLogS-8.265
H Acceptors5
TotalSurfaceArea414.79
Relative PSA0.16739
PolarSurfaceArea83.03
Druglikeness-1.42
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.46341
Fragments1
Non HAtoms41
NonCHAtoms9
Electronegative Atoms9
StereoCenters2
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms6
Symmetricatoms4
Aromatic Nitrogens1
BasicNitrogens1
StereoConunknown chirality

Request More Details | 6-bromo-3-[2-[(7Z)-3-(4-fluorophenyl)-7-[(4-fluorophenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-1,3-thiazol-4-yl]chromen-2-one


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments