(6E)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C32H23N5O2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (6E)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is not a drug-like molecule.

MolName	(6E)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C32H23N5O2S
Smiles	N=C(/C1=C\c2cn(Cc3cccc4ccccc34)c3c2cccc3)N2N=C(COc3ccccc3)SC2=NC1=O
InChI	InChI=1S/C32H23N5O2S/c33-30-27(31(38)34-32-37(30)35-29(40-32)20-39-24-12-2-1-3-13-24)17-23-19-36(28-16-7-6-15-26(23)28)18-22-11-8-10-21-9-4-5-14-25(21)22/h1-17,19,33H,18,20H2
InChIK	NPHYXDASECMQDG-UHFFFAOYSA-N
TotalMolweight	541.634
Molweight	541.634
MonoisotopicMass	541.157245
CLogP	4.303
CLogS	-5.37
H Acceptors	7
H Donors	1
TotalSurfaceArea	398.2
Relative PSA	0.22494
PolarSurfaceArea	108.34
Druglikeness	5.9877
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	7
Small Rings	7
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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1 - (6E)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6E)-5-imino-6-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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