2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C18H16N2O2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C18H16N2O2Cl2S
Smiles	NC(c1c(NC(/C=C/c(ccc(Cl)c2)c2Cl)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C18H16Cl2N2O2S/c19-11-7-5-10(13(20)9-11)6-8-15(23)22-18-16(17(21)24)12-3-1-2-4-14(12)25-18/h5-9H,1-4H2,(H2,21,24)(H,22,23)
InChIK	PPBNDQVMYWIOHV-UHFFFAOYSA-N
TotalMolweight	395.309
Molweight	395.309
MonoisotopicMass	394.030952
CLogP	4.6486
CLogS	-6.311
H Acceptors	4
H Donors	2
TotalSurfaceArea	283.32
Relative PSA	0.25826
PolarSurfaceArea	100.43
Druglikeness	-2.1295
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Amides	2
StereoCon

Click to Load Molecule:

1 - 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Request More Details | 2-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments