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C25H26N4O4ClF3 | Cheminformatics
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N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide

Molecular Formula : C25H26N4O4ClF3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide is not a drug-like molecule.

MolName : N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide

MolecularFormula : C25H26N4O4ClF3

Smiles : O=C(C1(CCNCC1)NC(/C=C/c1cc(OC(F)(F)F)ccc1)=O)NCCNC(c(cc1)ccc1Cl)=O

InChI : InChI=1S/C25H26ClF3N4O4/c26-19-7-5-18(6-8-19)22(35)31-14-15-32-23(36)24(10-12-30-13-11-24)33-21(34)9-4-17-2-1-3-20(16-17)37-25(27,28)29/h1-9,16,30H,10-15H2,(H,31,35)(H,32,36)(H,33,34)

InChIK : VRBHWPLPECGZNU-UHFFFAOYSA-N

TotalMolweight : 538.952

Molweight : 538.952

MonoisotopicMass : 538.159467

CLogP : 3.29

CLogS : -5.112

H Acceptors : 8

H Donors : 4

TotalSurfaceArea : 392.96

Relative PSA : 0.24165

PolarSurfaceArea : 108.56

Druglikeness : -4.1685

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.59459

Fragments : 1

Non HAtoms : 37

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 10

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 10

Symmetricatoms : 6

Amides : 3

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide
2 - N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]piperidine-4-carboxamide
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