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

Formula:C20H18N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-amino-6-[(Z)-indol-3-ylidenemethyl]-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H18N6O3S
Smiles	NC(N1N=C(CC(N2CCOCC2)=O)SC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O
InChI	InChI=1S/C20H18N6O3S/c21-18-14(9-12-11-22-15-4-2-1-3-13(12)15)19(28)23-20-26(18)24-16(30-20)10-17(27)25-5-7-29-8-6-25/h1-4,9,11H,5-8,10,21H2
InChIK	KQJFPBOPBOUCRE-UHFFFAOYSA-N
TotalMolweight	422.468
Molweight	422.468
MonoisotopicMass	422.116109
CLogP	0.0803
CLogS	-3.246
H Acceptors	9
H Donors	1
TotalSurfaceArea	298.5
Relative PSA	0.37008
PolarSurfaceArea	138.25
Druglikeness	6.8434
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
Amides	1
BasicNitrogens	1
StereoCon

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

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