(Z)-4-(1,3-benzothiazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pent-4-enoic acid

Formula:C20H17NO4S Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-4-(1,3-benzothiazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pent-4-enoic acid is a drug-like molecule.

MolName	(Z)-4-(1,3-benzothiazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pent-4-enoic acid
MolecularFormula	C20H17NO4S
Smiles	OC(CC/C(/c1nc(cccc2)c2s1)=C/c(cc1)cc2c1OCCO2)=O
InChI	InChI=1S/C20H17NO4S/c22-19(23)8-6-14(20-21-15-3-1-2-4-18(15)26-20)11-13-5-7-16-17(12-13)25-10-9-24-16/h1-5,7,11-12H,6,8-10H2,(H,22,23)
InChIK	FLBCWVAYBYHMRH-UHFFFAOYSA-N
TotalMolweight	367.424
Molweight	367.424
MonoisotopicMass	367.087829
CLogP	3.7055
CLogS	-3.942
H Acceptors	5
H Donors	1
TotalSurfaceArea	272.67
Relative PSA	0.28412
PolarSurfaceArea	96.89
Druglikeness	-6.4457
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (Z)-4-(1,3-benzothiazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pent-4-enoic acid | 2 - (Z)-4-(1,3-benzothiazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pent-4-enoic acid

Request More Details | (Z)-4-(1,3-benzothiazol-2-yl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)pent-4-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments