(6E)-2-(1-adamantyl)-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C26H23N4O2ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none (6E)-2-(1-adamantyl)-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6E)-2-(1-adamantyl)-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C26H23N4O2ClS
Smiles	N=C(/C1=C\c2ccc(-c3cccc(Cl)c3)o2)N2N=C(C3(CC(C4)C5)CC5CC4C3)SC2=NC1=O
InChI	InChI=1S/C26H23ClN4O2S/c27-18-3-1-2-17(9-18)21-5-4-19(33-21)10-20-22(28)31-25(29-23(20)32)34-24(30-31)26-11-14-6-15(12-26)8-16(7-14)13-26/h1-5,9-10,14-16,28H,6-8,11-13H2
InChIK	NEPNCBFNCKYTHV-UHFFFAOYSA-N
TotalMolweight	491.014
Molweight	491.014
MonoisotopicMass	490.123023
CLogP	4.0022
CLogS	-6.187
H Acceptors	6
H Donors	1
TotalSurfaceArea	337.6
Relative PSA	0.25714
PolarSurfaceArea	107.32
Druglikeness	6.0458
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.5
Fragments	1
Non HAtoms	34
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	7
Small Rings	8
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	11
Symmetricatoms	6
BasicNitrogens	1
StereoCon

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1 - (6E)-2-(1-adamantyl)-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6E)-2-(1-adamantyl)-6-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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