5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C20H13N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H13N5OS
Smiles	NC(N1N=C(c2ccccc2)SC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O
InChI	InChI=1S/C20H13N5OS/c21-17-15(10-13-11-22-16-9-5-4-8-14(13)16)18(26)23-20-25(17)24-19(27-20)12-6-2-1-3-7-12/h1-11H,21H2
InChIK	IGVJJLCSCUITEI-UHFFFAOYSA-N
TotalMolweight	371.423
Molweight	371.423
MonoisotopicMass	371.08408
CLogP	3.0964
CLogS	-6.231
H Acceptors	6
H Donors	1
TotalSurfaceArea	264.91
Relative PSA	0.31664
PolarSurfaceArea	108.71
Druglikeness	5.4802
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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