N-(2,4-difluorophenyl)-2-[4-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-1,4-diazepan-1-yl]acetamide

Formula:C23H25N3O4F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-(2,4-difluorophenyl)-2-[4-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-1,4-diazepan-1-yl]acetamide is a drug-like molecule.

MolName	N-(2,4-difluorophenyl)-2-[4-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-1,4-diazepan-1-yl]acetamide
MolecularFormula	C23H25N3O4F2S
Smiles	O=C(CN(CCC1)CCN1C(CS(/C=C/c1ccccc1)(=O)=O)=O)Nc(ccc(F)c1)c1F
InChI	InChI=1S/C23H25F2N3O4S/c24-19-7-8-21(20(25)15-19)26-22(29)16-27-10-4-11-28(13-12-27)23(30)17-33(31,32)14-9-18-5-2-1-3-6-18/h1-3,5-9,14-15H,4,10-13,16-17H2,(H,26,29)
InChIK	QKZXPOFCYVIKLF-UHFFFAOYSA-N
TotalMolweight	477.53
Molweight	477.53
MonoisotopicMass	477.153383
CLogP	1.7883
CLogS	-3.324
H Acceptors	7
H Donors	1
TotalSurfaceArea	351.18
Relative PSA	0.2085
PolarSurfaceArea	95.17
Druglikeness	0.029443
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	3
Amides	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - N-(2,4-difluorophenyl)-2-[4-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-1,4-diazepan-1-yl]acetamide | 2 - N-(2,4-difluorophenyl)-2-[4-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-1,4-diazepan-1-yl]acetamide

Request More Details | N-(2,4-difluorophenyl)-2-[4-[2-[(E)-2-phenylethenyl]sulfonylacetyl]-1,4-diazepan-1-yl]acetamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments