(E)-3-phenylsulfanyl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

Formula:C22H22N4O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenylsulfanyl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-phenylsulfanyl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one
MolecularFormula	C22H22N4O3S
Smiles	O=C(/C=C/Sc1ccccc1)N1CC(COc(cc2)ccc2-n2ncnc2)OCC1
InChI	InChI=1S/C22H22N4O3S/c27-22(10-13-30-21-4-2-1-3-5-21)25-11-12-28-20(14-25)15-29-19-8-6-18(7-9-19)26-17-23-16-24-26/h1-10,13,16-17,20H,11-12,14-15H2/t20-/m1/s1
InChIK	BVFQHGCTEIDFAW-HXUWFJFHSA-N
TotalMolweight	422.508
Molweight	422.508
MonoisotopicMass	422.141261
CLogP	2.0981
CLogS	-3.524
H Acceptors	7
TotalSurfaceArea	325.58
Relative PSA	0.25459
PolarSurfaceArea	94.78
Druglikeness	4.8842
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	8
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	3
StereoCon	racemate

Click to Load Molecule:

1 - (E)-3-phenylsulfanyl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one | 2 - (E)-3-phenylsulfanyl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

Request More Details | (E)-3-phenylsulfanyl-1-[2-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]morpholin-4-yl]prop-2-en-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments