[2-[bis(prop-2-enyl)amino]-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

Formula:C28H25N3O4 Mutagenic:none Tumorigenic:low Reproductive Effective:none [2-[bis(prop-2-enyl)amino]-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName	[2-[bis(prop-2-enyl)amino]-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate
MolecularFormula	C28H25N3O4
Smiles	C=CCN(CC=C)C(COC(/C=C/c1cn(-c2ccccc2)nc1-c1cc(cccc2)c2o1)=O)=O
InChI	InChI=1S/C28H25N3O4/c1-3-16-30(17-4-2)26(32)20-34-27(33)15-14-22-19-31(23-11-6-5-7-12-23)29-28(22)25-18-21-10-8-9-13-24(21)35-25/h3-15,18-19H,1-2,16-17,20H2
InChIK	WINAVZYYCCJSDK-UHFFFAOYSA-N
TotalMolweight	467.524
Molweight	467.524
MonoisotopicMass	467.184507
CLogP	4.064
CLogS	-4.914
H Acceptors	7
TotalSurfaceArea	377.69
Relative PSA	0.18952
PolarSurfaceArea	77.57
Druglikeness	1.3799
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	11
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	4
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	2
StereoCon

Click to Load Molecule:

1 - [2-[bis(prop-2-enyl)amino]-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate | 2 - [2-[bis(prop-2-enyl)amino]-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

Request More Details | [2-[bis(prop-2-enyl)amino]-2-oxoethyl] (E)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments