Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C25H25N4O2ClF2 | Cheminformatics

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

Molecular Formula : C25H25N4O2ClF2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C25H25N4O2ClF2

Smiles : O=C(C1(CCNCC1)NC(/C=C/c(ccc(Cl)c1)c1F)=O)NCCc1c[nH]c(cc2)c1cc2F

InChI : InChI=1S/C25H25ClF2N4O2/c26-18-3-1-16(21(28)13-18)2-6-23(33)32-25(8-11-29-12-9-25)24(34)30-10-7-17-15-31-22-5-4-19(27)14-20(17)22/h1-6,13-15,29,31H,7-12H2,(H,30,34)(H,32,33)

InChIK : GAKCNDUXVUBJTG-UHFFFAOYSA-N

TotalMolweight : 486.949

Molweight : 486.949

MonoisotopicMass : 486.163409

CLogP : 3.3464

CLogS : -5.44

H Acceptors : 6

H Donors : 4

TotalSurfaceArea : 361.16

Relative PSA : 0.20614

PolarSurfaceArea : 86.02

Druglikeness : 1.7874

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.55882

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 15

Sp3Atoms : 8

Symmetricatoms : 2

Amides : 2

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

Request More Details | 4-[[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]amino]-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]piperidine-4-carboxamide


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