Menu

N-[(E)-3-[2-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]ethylamino]-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C34H28N4O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-[2-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]ethylamino]-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide is not a drug-like molecule.
MolNameN-[(E)-3-[2-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]ethylamino]-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormulaC34H28N4O4Cl2
SmilesO=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1Cl)NCCNC(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1Cl)=O
InChIInChI=1S/C34H28Cl2N4O4/c35-27-15-11-23(12-16-27)21-29(39-31(41)25-7-3-1-4-8-25)33(43)37-19-20-38-34(44)30(22-24-13-17-28(36)18-14-24)40-32(42)26-9-5-2-6-10-26/h1-18,21-22H,19-20H2,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
InChIKGRXNTMNSHXHMML-UHFFFAOYSA-N
TotalMolweight627.526
Molweight627.526
MonoisotopicMass626.14876
CLogP6.4776
CLogS-7.82
H Acceptors8
H Donors4
TotalSurfaceArea477.16
Relative PSA0.20538
PolarSurfaceArea116.4
Druglikeness4.2518
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45455
Fragments1
Non HAtoms44
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond11
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms2
Symmetricatoms26
Amides4
StereoCon

Request More Details | N-[(E)-3-[2-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]ethylamino]-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments