N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-(3-nitrophenyl)benzamide

Formula:C26H25N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-(3-nitrophenyl)benzamide is a drug-like molecule.

MolName	N-[(2R,4S)-2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl]-N-(3-nitrophenyl)benzamide
MolecularFormula	C26H25N3O4
Smiles	CCC(N([C@H](C)C[C@@H]1N(C(c2ccccc2)=O)c2cccc([N+]([O-])=O)c2)c2c1cccc2)=O
InChI	InChI=1S/C26H25N3O4/c1-3-25(30)27-18(2)16-24(22-14-7-8-15-23(22)27)28(26(31)19-10-5-4-6-11-19)20-12-9-13-21(17-20)29(32)33/h4-15,17-18,24H,3,16H2,1-2H3/t18-,24+/m1/s1
InChIK	WDFZFCUAYOJPRB-KOSHJBKYSA-N
TotalMolweight	443.502
Molweight	443.502
MonoisotopicMass	443.184507
CLogP	4.6359
CLogS	-6.04
H Acceptors	7
TotalSurfaceArea	336.09
Relative PSA	0.18924
PolarSurfaceArea	86.44
Druglikeness	-0.77562
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.39394
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon	this enantiomer

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