1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea

Formula:C17H11N4OCl3S Mutagenic:none Tumorigenic:high Reproductive Effective:none 1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea is not a drug-like molecule.

MolName	1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea
MolecularFormula	C17H11N4OCl3S
Smiles	O=C(Nc1nnc(/C=C/c(cccc2)c2Cl)s1)Nc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C17H11Cl3N4OS/c18-12-4-2-1-3-10(12)5-8-15-23-24-17(26-15)22-16(25)21-11-6-7-13(19)14(20)9-11/h1-9H,(H2,21,22,24,25)
InChIK	IVPIODIXZIHXCR-UHFFFAOYSA-N
TotalMolweight	425.726
Molweight	425.726
MonoisotopicMass	423.971912
CLogP	5.669
CLogS	-7.195
H Acceptors	5
H Donors	2
TotalSurfaceArea	299.67
Relative PSA	0.26115
PolarSurfaceArea	95.15
Druglikeness	3.4275
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Amides	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - 1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea | 2 - 1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea

Request More Details | 1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-(3,4-dichlorophenyl)urea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments