N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

Formula:C26H21N4O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is a drug-like molecule.

MolName	N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
MolecularFormula	C26H21N4O2FS
Smiles	O=C(C(Cc1ccccc1)NC(/C=C/c1ccccc1)=O)Nc1nnc(-c(cc2)ccc2F)s1
InChI	InChI=1S/C26H21FN4O2S/c27-21-14-12-20(13-15-21)25-30-31-26(34-25)29-24(33)22(17-19-9-5-2-6-10-19)28-23(32)16-11-18-7-3-1-4-8-18/h1-16,22H,17H2,(H,28,32)(H,29,31,33)/t22-/m0/s1
InChIK	VENYWFQYOVVQQJ-QFIPXVFZSA-N
TotalMolweight	472.543
Molweight	472.543
MonoisotopicMass	472.136924
CLogP	4.79
CLogS	-5.596
H Acceptors	6
H Donors	2
TotalSurfaceArea	363.53
Relative PSA	0.25115
PolarSurfaceArea	112.22
Druglikeness	3.8871
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Amides	2
Aromatic Nitrogens	2
StereoCon	racemate

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