[2-oxo-2-(4-sulfamoylanilino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C29H24N4O7S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(4-sulfamoylanilino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.

MolName	[2-oxo-2-(4-sulfamoylanilino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormula	C29H24N4O7S
Smiles	NS(c(cc1)ccc1NC(COC(c1c(CCC/C2=C\c3cc([N+]([O-])=O)ccc3)c2nc2ccccc12)=O)=O)(=O)=O
InChI	InChI=1S/C29H24N4O7S/c30-41(38,39)22-13-11-20(12-14-22)31-26(34)17-40-29(35)27-23-8-1-2-10-25(23)32-28-19(6-4-9-24(27)28)15-18-5-3-7-21(16-18)33(36)37/h1-3,5,7-8,10-16H,4,6,9,17H2,(H,31,34)(H2,30,38,39)
InChIK	LEDJZAJLKPVEBK-UHFFFAOYSA-N
TotalMolweight	572.597
Molweight	572.597
MonoisotopicMass	572.136571
CLogP	3.231
CLogS	-6.574
H Acceptors	11
H Donors	2
TotalSurfaceArea	410.12
Relative PSA	0.32376
PolarSurfaceArea	182.65
Druglikeness	-2.3851
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5122
Fragments	1
Non HAtoms	41
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	7
Symmetricatoms	3
Amides	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [2-oxo-2-(4-sulfamoylanilino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate | 2 - [2-oxo-2-(4-sulfamoylanilino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Request More Details | [2-oxo-2-(4-sulfamoylanilino)ethyl] (4E)-4-[(3-nitrophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments