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C23H25N4O3F | Cheminformatics

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide

Molecular Formula : C23H25N4O3F | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(E)-3-(furan-3-yl)prop-2-enoyl]amino]piperidine-4-carboxamide

MolecularFormula : C23H25N4O3F

Smiles : O=C(C1(CCNCC1)NC(/C=C/c1cocc1)=O)NCCc1c[nH]c(cc2)c1cc2F

InChI : InChI=1S/C23H25FN4O3/c24-18-2-3-20-19(13-18)17(14-27-20)5-9-26-22(30)23(7-10-25-11-8-23)28-21(29)4-1-16-6-12-31-15-16/h1-4,6,12-15,25,27H,5,7-11H2,(H,26,30)(H,28,29)

InChIK : ZGBAYUCFENZHGX-UHFFFAOYSA-N

TotalMolweight : 424.475

Molweight : 424.475

MonoisotopicMass : 424.191069

CLogP : 1.7743

CLogS : -4.048

H Acceptors : 7

H Donors : 4

TotalSurfaceArea : 329.08

Relative PSA : 0.26911

PolarSurfaceArea : 99.16

Druglikeness : 1.4908

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.54839

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 14

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 2

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

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