(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Formula:C17H12N2O5S Mutagenic:none Tumorigenic:none Reproductive Effective:high (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate is a drug-like molecule.

MolName	(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
MolecularFormula	C17H12N2O5S
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)OCC(N=C1SC=CN11)=CC1=O
InChI	InChI=1S/C17H12N2O5S/c20-15-8-12(18-17-19(15)5-6-25-17)9-22-16(21)4-2-11-1-3-13-14(7-11)24-10-23-13/h1-8H,9-10H2
InChIK	RRNBNTROEDPZAD-UHFFFAOYSA-N
TotalMolweight	356.357
Molweight	356.357
MonoisotopicMass	356.046693
CLogP	1.9022
CLogS	-4.461
H Acceptors	7
TotalSurfaceArea	254.25
Relative PSA	0.34859
PolarSurfaceArea	102.73
Druglikeness	-1.1313
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Amides	1
StereoCon

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