(E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile

Formula:C28H15N3O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile
MolecularFormula	C28H15N3O3S
Smiles	N#C/C(/c1nc(C2=Cc(cccc3)c3OC2=O)cs1)=C\c1cc2c(-c3ccccc3)onc2cc1
InChI	InChI=1S/C28H15N3O3S/c29-15-20(12-17-10-11-23-21(13-17)26(34-31-23)18-6-2-1-3-7-18)27-30-24(16-35-27)22-14-19-8-4-5-9-25(19)33-28(22)32/h1-14,16H
InChIK	LNCWAICXSTWCOZ-UHFFFAOYSA-N
TotalMolweight	473.511
Molweight	473.511
MonoisotopicMass	473.083412
CLogP	4.7871
CLogS	-6.77
H Acceptors	6
TotalSurfaceArea	355.67
Relative PSA	0.26151
PolarSurfaceArea	117.25
Druglikeness	-0.054573
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.54286
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	26
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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1 - (E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile | 2 - (E)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile

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