ethyl (4S,7S)-2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate

Formula:C24H22NO4F Mutagenic:none Tumorigenic:none Reproductive Effective:none ethyl (4S,7S)-2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate is a drug-like molecule.

MolName	ethyl (4S,7S)-2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate
MolecularFormula	C24H22NO4F
Smiles	CCOC(C([C@H]1c(cc2)ccc2F)=C(N)OC(C[C@@H](C2)c3ccccc3)=C1C2=O)=O
InChI	InChI=1S/C24H22FNO4/c1-2-29-24(28)22-20(15-8-10-17(25)11-9-15)21-18(27)12-16(13-19(21)30-23(22)26)14-6-4-3-5-7-14/h3-11,16,20H,2,12-13,26H2,1H3/t16-,20+/m1/s1
InChIK	KQZFSQMKZYFRDV-UZLBHIALSA-N
TotalMolweight	407.44
Molweight	407.44
MonoisotopicMass	407.153287
CLogP	4.5247
CLogS	-6.241
H Acceptors	5
H Donors	1
TotalSurfaceArea	300.77
Relative PSA	0.20398
PolarSurfaceArea	78.62
Druglikeness	-4.1097
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
StereoCon	this enantiomer

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1 - ethyl (4S,7S)-2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate | 2 - ethyl (4S,7S)-2-amino-4-(4-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carboxylate

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