(E)-3-(4-fluorophenyl)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide

Formula:C17H13N4O4FS Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-3-(4-fluorophenyl)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(4-fluorophenyl)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide
MolecularFormula	C17H13N4O4FS
Smiles	[O-][N+](c(cc1)ccc1C(NNC(NC(/C=C/c(cc1)ccc1F)=O)=S)=O)=O
InChI	InChI=1S/C17H13FN4O4S/c18-13-6-1-11(2-7-13)3-10-15(23)19-17(27)21-20-16(24)12-4-8-14(9-5-12)22(25)26/h1-10H,(H,20,24)(H2,19,21,23,27)
InChIK	HPRWQMPHEANQRX-UHFFFAOYSA-N
TotalMolweight	388.378
Molweight	388.378
MonoisotopicMass	388.064154
CLogP	1.3084
CLogS	-4.999
H Acceptors	8
H Donors	3
TotalSurfaceArea	292.13
Relative PSA	0.40694
PolarSurfaceArea	148.14
Druglikeness	-5.3081
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (E)-3-(4-fluorophenyl)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide | 2 - (E)-3-(4-fluorophenyl)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide

Request More Details | (E)-3-(4-fluorophenyl)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments