furan-2-ylmethyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate

Formula:C22H16NO6Br Mutagenic:none Tumorigenic:none Reproductive Effective:high furan-2-ylmethyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate is a drug-like molecule.

MolName	furan-2-ylmethyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate
MolecularFormula	C22H16NO6Br
Smiles	O=C(/C(/NC(c(cccc1)c1Br)=O)=C/c(cc1)cc2c1OCO2)OCc1ccco1
InChI	InChI=1S/C22H16BrNO6/c23-17-6-2-1-5-16(17)21(25)24-18(22(26)28-12-15-4-3-9-27-15)10-14-7-8-19-20(11-14)30-13-29-19/h1-11H,12-13H2,(H,24,25)
InChIK	ULGZUTIIRIMTCV-UHFFFAOYSA-N
TotalMolweight	470.274
Molweight	470.274
MonoisotopicMass	469.0161
CLogP	4.6327
CLogS	-6.052
H Acceptors	7
H Donors	1
TotalSurfaceArea	316.79
Relative PSA	0.25774
PolarSurfaceArea	87
Druglikeness	0.44587
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Amides	1
StereoCon

Click to Load Molecule:

1 - furan-2-ylmethyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate | 2 - furan-2-ylmethyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate

Request More Details | furan-2-ylmethyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments