(E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide

Formula:C17H20N8O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high (E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide
MolecularFormula	C17H20N8O3S
Smiles	O=C(Cn1nnc(N2CCOCC2)n1)NNC(NC(/C=C/c1ccccc1)=O)=S
InChI	InChI=1S/C17H20N8O3S/c26-14(7-6-13-4-2-1-3-5-13)18-17(29)21-19-15(27)12-25-22-16(20-23-25)24-8-10-28-11-9-24/h1-7H,8-12H2,(H,19,27)(H2,18,21,26,29)
InChIK	XRJZDZLQWAVFHA-UHFFFAOYSA-N
TotalMolweight	416.465
Molweight	416.465
MonoisotopicMass	416.137907
CLogP	-0.164
CLogS	-2.522
H Acceptors	11
H Donors	3
TotalSurfaceArea	323.19
Relative PSA	0.43872
PolarSurfaceArea	158.39
Druglikeness	-0.71639
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	4
StereoCon

Click to Load Molecule:

1 - (E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide | 2 - (E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide

Request More Details | (E)-N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]-3-phenylprop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments