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

Formula:C23H13N3O2S Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-2-[4-(furan-2-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-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile
MolecularFormula	C23H13N3O2S
Smiles	N#C/C(/c1nc(-c2ccco2)cs1)=C\c1cc2c(-c3ccccc3)onc2cc1
InChI	InChI=1S/C23H13N3O2S/c24-13-17(23-25-20(14-29-23)21-7-4-10-27-21)11-15-8-9-19-18(12-15)22(28-26-19)16-5-2-1-3-6-16/h1-12,14H
InChIK	LFWPSMBRUNEOJU-UHFFFAOYSA-N
TotalMolweight	395.441
Molweight	395.441
MonoisotopicMass	395.072847
CLogP	4.616
CLogS	-6.163
H Acceptors	5
TotalSurfaceArea	306.4
Relative PSA	0.27441
PolarSurfaceArea	104.09
Druglikeness	-0.60831
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	25
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

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

Request More Details | (E)-2-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-phenyl-2,1-benzoxazol-5-yl)prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments