3-[(4-fluorophenyl)methyl]-5-[4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole

Formula:C22H23N4O2FS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(4-fluorophenyl)methyl]-5-[4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole is a drug-like molecule.

MolName	3-[(4-fluorophenyl)methyl]-5-[4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
MolecularFormula	C22H23N4O2FS2
Smiles	O=S(/C=C/c1ccccc1)(N(CCC1)CCN1c1nc(Cc(cc2)ccc2F)ns1)=O
InChI	InChI=1S/C22H23FN4O2S2/c23-20-9-7-19(8-10-20)17-21-24-22(30-25-21)26-12-4-13-27(15-14-26)31(28,29)16-11-18-5-2-1-3-6-18/h1-3,5-11,16H,4,12-15,17H2
InChIK	NHSDBNNDUOMYQO-UHFFFAOYSA-N
TotalMolweight	458.581
Molweight	458.581
MonoisotopicMass	458.124644
CLogP	4.5363
CLogS	-3.837
H Acceptors	6
TotalSurfaceArea	337.33
Relative PSA	0.23117
PolarSurfaceArea	103.02
Druglikeness	2.4546
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64516
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	7
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - 3-[(4-fluorophenyl)methyl]-5-[4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole | 2 - 3-[(4-fluorophenyl)methyl]-5-[4-[(E)-2-phenylethenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole

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