(7-hydroxy-2-oxochromen-4-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

Formula:C20H15NO6S Mutagenic:none Tumorigenic:none Reproductive Effective:high (7-hydroxy-2-oxochromen-4-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate is a drug-like molecule.

MolName	(7-hydroxy-2-oxochromen-4-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate
MolecularFormula	C20H15NO6S
Smiles	Oc(cc1)cc(O2)c1C(COC(C[C@H]1Sc(cccc3)c3NC1=O)=O)=CC2=O
InChI	InChI=1S/C20H15NO6S/c22-12-5-6-13-11(7-19(24)27-15(13)8-12)10-26-18(23)9-17-20(25)21-14-3-1-2-4-16(14)28-17/h1-8,17,22H,9-10H2,(H,21,25)/t17-/m1/s1
InChIK	CPLUPJVUVTZVJN-QGZVFWFLSA-N
TotalMolweight	397.406
Molweight	397.406
MonoisotopicMass	397.062009
CLogP	1.0807
CLogS	-3.772
H Acceptors	7
H Donors	2
TotalSurfaceArea	279.3
Relative PSA	0.36223
PolarSurfaceArea	127.23
Druglikeness	1.1117
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
StereoCon	this enantiomer

Click to Load Molecule:

1 - (7-hydroxy-2-oxochromen-4-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate | 2 - (7-hydroxy-2-oxochromen-4-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

Request More Details | (7-hydroxy-2-oxochromen-4-yl)methyl 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments