(2-acetylphenyl) 3-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate

Formula:C24H19NO5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2-acetylphenyl) 3-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate is a drug-like molecule.

MolName	(2-acetylphenyl) 3-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate
MolecularFormula	C24H19NO5
Smiles	CC(c(cccc1)c1OC(c1cccc(N(C([C@H]2[C@@H]3[C@@H]4C=C[C@H]2C4)=O)C3=O)c1)=O)=O
InChI	InChI=1S/C24H19NO5/c1-13(26)18-7-2-3-8-19(18)30-24(29)16-5-4-6-17(12-16)25-22(27)20-14-9-10-15(11-14)21(20)23(25)28/h2-10,12,14-15,20-21H,11H2,1H3/t14-,15+,20+,21-
InChIK	VQYPFBZYDISNBK-ZFJWPNLUSA-N
TotalMolweight	401.417
Molweight	401.417
MonoisotopicMass	401.126324
CLogP	2.8773
CLogS	-5.31
H Acceptors	6
TotalSurfaceArea	286.34
Relative PSA	0.22948
PolarSurfaceArea	80.75
Druglikeness	2.5667
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	4
Rotatable Bond	5
Rings Closures	5
Small Rings	6
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
StereoCon	this enantiomer

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1 - (2-acetylphenyl) 3-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate | 2 - (2-acetylphenyl) 3-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]benzoate

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