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

Formula:C20H12N5OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-amino-2-(2-chlorophenyl)-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	5-amino-2-(2-chlorophenyl)-6-[(Z)-indol-3-ylidenemethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C20H12N5OClS
Smiles	NC(N1N=C(c(cccc2)c2Cl)SC1=N1)=C(/C=C2/c(cccc3)c3N=C2)C1=O
InChI	InChI=1S/C20H12ClN5OS/c21-15-7-3-1-6-13(15)19-25-26-17(22)14(18(27)24-20(26)28-19)9-11-10-23-16-8-4-2-5-12(11)16/h1-10H,22H2
InChIK	QFWJLBODUCSHBY-UHFFFAOYSA-N
TotalMolweight	405.868
Molweight	405.868
MonoisotopicMass	405.045107
CLogP	3.7024
CLogS	-6.967
H Acceptors	6
H Donors	1
TotalSurfaceArea	280.33
Relative PSA	0.29922
PolarSurfaceArea	108.71
Druglikeness	5.5167
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
BasicNitrogens	1
StereoCon

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