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

Formula:C21H15N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-2-benzyl-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-amino-2-benzyl-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C21H15N5OS
Smiles	NC(N1N=C(Cc2ccccc2)SC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O
InChI	InChI=1S/C21H15N5OS/c22-19-16(11-14-12-23-17-9-5-4-8-15(14)17)20(27)24-21-26(19)25-18(28-21)10-13-6-2-1-3-7-13/h1-9,11-12H,10,22H2
InChIK	LPIGUMOZGMEXGL-UHFFFAOYSA-N
TotalMolweight	385.45
Molweight	385.45
MonoisotopicMass	385.09973
CLogP	2.1549
CLogS	-4.939
H Acceptors	6
H Donors	1
TotalSurfaceArea	278.67
Relative PSA	0.301
PolarSurfaceArea	108.71
Druglikeness	5.5993
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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