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C22H25N4O4Cl N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide | Chemryt

N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide

Molecular Formula : C22H25N4O4Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

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

MolecularFormula : C22H25N4O4Cl

Smiles : O=C(C1(CCNCC1)NC(/C=C/c1cocc1)=O)NCCNC(c(cc1)ccc1Cl)=O

InChI : InChI=1S/C22H25ClN4O4/c23-18-4-2-17(3-5-18)20(29)25-12-13-26-21(30)22(8-10-24-11-9-22)27-19(28)6-1-16-7-14-31-15-16/h1-7,14-15,24H,8-13H2,(H,25,29)(H,26,30)(H,27,28)

InChIK : QSPQVRLMWMBGMZ-UHFFFAOYSA-N

TotalMolweight : 444.918

Molweight : 444.918

MonoisotopicMass : 444.156433

CLogP : 1.3257

CLogS : -3.747

H Acceptors : 8

H Donors : 4

TotalSurfaceArea : 343.19

Relative PSA : 0.28867

PolarSurfaceArea : 112.47

Druglikeness : 3.6934

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Shape Index : 0.6129

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 8

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 3

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

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