(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C23H14N2OCl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H14N2OCl2S2
Smiles	N#C/C(/Sc1nc(cccc2)c2s1)=C\c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C23H14Cl2N2OS2/c24-17-8-7-16(20(25)12-17)14-28-18-9-5-15(6-10-18)11-19(13-26)29-23-27-21-3-1-2-4-22(21)30-23/h1-12H,14H2
InChIK	REKZWDZIISQBCZ-UHFFFAOYSA-N
TotalMolweight	469.415
Molweight	469.415
MonoisotopicMass	467.992457
CLogP	6.9467
CLogS	-8.323
H Acceptors	3
TotalSurfaceArea	340.59
Relative PSA	0.21251
PolarSurfaceArea	99.45
Druglikeness	-3.6236
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile | 2 - (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

Request More Details | (E)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments