(7E)-1-(1,3-benzothiazol-2-yl)-7-benzylidene-5,6-dihydro-2H-cyclopenta[c]pyridazine-3,4-dione

Formula:C21H15N3O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (7E)-1-(1,3-benzothiazol-2-yl)-7-benzylidene-5,6-dihydro-2H-cyclopenta[c]pyridazine-3,4-dione is a drug-like molecule.

MolName	(7E)-1-(1,3-benzothiazol-2-yl)-7-benzylidene-5,6-dihydro-2H-cyclopenta[c]pyridazine-3,4-dione
MolecularFormula	C21H15N3O2S
Smiles	O=C(C(CC/C1=C\c2ccccc2)=C1N(c1nc(cccc2)c2s1)N1)C1=O
InChI	InChI=1S/C21H15N3O2S/c25-19-15-11-10-14(12-13-6-2-1-3-7-13)18(15)24(23-20(19)26)21-22-16-8-4-5-9-17(16)27-21/h1-9,12H,10-11H2,(H,23,26)
InChIK	PDZYMMJBTDAHPB-UHFFFAOYSA-N
TotalMolweight	373.435
Molweight	373.435
MonoisotopicMass	373.088497
CLogP	3.2364
CLogS	-4.757
H Acceptors	5
H Donors	1
TotalSurfaceArea	267.73
Relative PSA	0.2705
PolarSurfaceArea	90.54
Druglikeness	0.15219
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

Click to Load Molecule:

1 - (7E)-1-(1,3-benzothiazol-2-yl)-7-benzylidene-5,6-dihydro-2H-cyclopenta[c]pyridazine-3,4-dione | 2 - (7E)-1-(1,3-benzothiazol-2-yl)-7-benzylidene-5,6-dihydro-2H-cyclopenta[c]pyridazine-3,4-dione

Request More Details | (7E)-1-(1,3-benzothiazol-2-yl)-7-benzylidene-5,6-dihydro-2H-cyclopenta[c]pyridazine-3,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments