[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C27H20N2O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is a drug-like molecule.

MolName	[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C27H20N2O6
Smiles	O=C(COC(c1c(CC/C2=C\c3ccco3)c2nc2ccccc12)=O)Nc(cc1)cc2c1OCO2
InChI	InChI=1S/C27H20N2O6/c30-24(28-17-8-10-22-23(13-17)35-15-34-22)14-33-27(31)25-19-5-1-2-6-21(19)29-26-16(7-9-20(25)26)12-18-4-3-11-32-18/h1-6,8,10-13H,7,9,14-15H2,(H,28,30)
InChIK	SBLPKOQIFREVFE-UHFFFAOYSA-N
TotalMolweight	468.464
Molweight	468.464
MonoisotopicMass	468.132138
CLogP	4.3467
CLogS	-6.338
H Acceptors	8
H Donors	1
TotalSurfaceArea	345.54
Relative PSA	0.26804
PolarSurfaceArea	99.89
Druglikeness	1.5909
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	7
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate | 2 - [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Request More Details | [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (3E)-3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments