[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Formula:C25H19N3O5S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate
MolecularFormula	C25H19N3O5S
Smiles	O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)=O)Nc(cc1)cc2c1OCO2
InChI	InChI=1S/C25H19N3O5S/c29-23(26-18-9-10-20-21(13-18)33-16-32-20)15-31-24(30)11-8-17-14-28(19-5-2-1-3-6-19)27-25(17)22-7-4-12-34-22/h1-14H,15-16H2,(H,26,29)
InChIK	OWZVDAWBJKTJRQ-UHFFFAOYSA-N
TotalMolweight	473.508
Molweight	473.508
MonoisotopicMass	473.104542
CLogP	3.7481
CLogS	-5.546
H Acceptors	8
H Donors	1
TotalSurfaceArea	353.92
Relative PSA	0.29877
PolarSurfaceArea	119.92
Druglikeness	3.9929
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	5
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate | 2 - [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Request More Details | [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments