(2-amino-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C24H20N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2-amino-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate is a drug-like molecule.

MolName	(2-amino-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C24H20N2O5
Smiles	NC(COC(c1c(CCC/C2=C\c(cc3)cc4c3OCO4)c2nc2ccccc12)=O)=O
InChI	InChI=1S/C24H20N2O5/c25-21(27)12-29-24(28)22-16-5-1-2-7-18(16)26-23-15(4-3-6-17(22)23)10-14-8-9-19-20(11-14)31-13-30-19/h1-2,5,7-11H,3-4,6,12-13H2,(H2,25,27)
InChIK	RNPGFXAWOXBENX-UHFFFAOYSA-N
TotalMolweight	416.432
Molweight	416.432
MonoisotopicMass	416.137223
CLogP	3.4398
CLogS	-5.503
H Acceptors	7
H Donors	1
TotalSurfaceArea	306.91
Relative PSA	0.26822
PolarSurfaceArea	100.74
Druglikeness	-0.97915
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Amides	1
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (2-amino-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate | 2 - (2-amino-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

Request More Details | (2-amino-2-oxoethyl) (4E)-4-(1,3-benzodioxol-5-ylmethylidene)-2,3-dihydro-1H-acridine-9-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments