Menu

1-(2-chlorophenyl)-3-[(Z)-[(3Z)-3-[(2-chlorophenyl)carbamothioylhydrazinylidene]cyclohexylidene]amino]thiourea

Formula:C20H20N6Cl2S2 Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2-chlorophenyl)-3-[(Z)-[(3Z)-3-[(2-chlorophenyl)carbamothioylhydrazinylidene]cyclohexylidene]amino]thiourea is not a drug-like molecule.
MolName1-(2-chlorophenyl)-3-[(Z)-[(3Z)-3-[(2-chlorophenyl)carbamothioylhydrazinylidene]cyclohexylidene]amino]thiourea
MolecularFormulaC20H20N6Cl2S2
SmilesS=C(Nc(cccc1)c1Cl)N/N=C(/CCC1)\C/C1=N\NC(Nc(cccc1)c1Cl)=S
InChIInChI=1S/C20H20Cl2N6S2/c21-15-8-1-3-10-17(15)23-19(29)27-25-13-6-5-7-14(12-13)26-28-20(30)24-18-11-4-2-9-16(18)22/h1-4,8-11H,5-7,12H2,(H2,23,27,29)(H2,24,28,30)
InChIKDGBBMKWVOQBALC-UHFFFAOYSA-N
TotalMolweight479.459
Molweight479.459
MonoisotopicMass478.056788
CLogP5.8458
CLogS-7.688
H Acceptors6
H Donors4
TotalSurfaceArea362.6
Relative PSA0.34435
PolarSurfaceArea137.02
Druglikeness-1.384
Mutagenichigh
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsthio-amide/urea
Shape Index0.63333
Fragments1
Non HAtoms30
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms14
StereoCon

Request More Details | 1-(2-chlorophenyl)-3-[(Z)-[(3Z)-3-[(2-chlorophenyl)carbamothioylhydrazinylidene]cyclohexylidene]amino]thiourea


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