1-[(Z)-[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]-3-phenylurea

Formula:C18H14N4O2Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[(Z)-[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]-3-phenylurea is a drug-like molecule.

MolName1-[(Z)-[3-(2-chloroacetyl)-4-(4-chlorophenyl)-1,3-thiazol-2-ylidene]amino]-3-phenylurea
MolecularFormulaC18H14N4O2Cl2S
SmilesO=C(CCl)N(C(c(cc1)ccc1Cl)=CS1)/C1=N/NC(Nc1ccccc1)=O
InChIInChI=1S/C18H14Cl2N4O2S/c19-10-16(25)24-15(12-6-8-13(20)9-7-12)11-27-18(24)23-22-17(26)21-14-4-2-1-3-5-14/h1-9,11H,10H2,(H2,21,22,26)
InChIKIVXKGCWMPAPSDM-UHFFFAOYSA-N
TotalMolweight421.307
Molweight421.307
MonoisotopicMass420.02145
CLogP4.7601
CLogS-6.175
H Acceptors6
H Donors2
TotalSurfaceArea298.01
Relative PSA0.27365
PolarSurfaceArea99.1
Druglikeness4.5076
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functions
Shape Index0.59259
Fragments1
Non HAtoms27
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
Amides2
StereoCon

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