2-[(E)-2-phenylethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one

Formula:C18H15NO2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-phenylethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one is a drug-like molecule.

MolName	2-[(E)-2-phenylethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
MolecularFormula	C18H15NO2S
Smiles	O=C1OC(/C=C/c2ccccc2)=Nc2c1c(CCCC1)c1s2
InChI	InChI=1S/C18H15NO2S/c20-18-16-13-8-4-5-9-14(13)22-17(16)19-15(21-18)11-10-12-6-2-1-3-7-12/h1-3,6-7,10-11H,4-5,8-9H2
InChIK	FVPKDJYLYRUMRR-UHFFFAOYSA-N
TotalMolweight	309.388
Molweight	309.388
MonoisotopicMass	309.082349
CLogP	3.9185
CLogS	-4.963
H Acceptors	3
TotalSurfaceArea	234.22
Relative PSA	0.23444
PolarSurfaceArea	66.9
Druglikeness	-2.6229
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
StereoCon

Click to Load Molecule:

1 - 2-[(E)-2-phenylethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one | 2 - 2-[(E)-2-phenylethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one

Request More Details | 2-[(E)-2-phenylethenyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments