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

C24H25N4O3BrClF | Cheminformatics

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

Molecular Formula : C24H25N4O3BrClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

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

MolecularFormula : C24H25N4O3BrClF

Smiles : O=C(C1(CCNCC1)NC(/C=C/c(cc1)cc(Br)c1F)=O)NCCNC(c(cc1)ccc1Cl)=O

InChI : InChI=1S/C24H25BrClFN4O3/c25-19-15-16(1-7-20(19)27)2-8-21(32)31-24(9-11-28-12-10-24)23(34)30-14-13-29-22(33)17-3-5-18(26)6-4-17/h1-8,15,28H,9-14H2,(H,29,33)(H,30,34)(H,31,32)

InChIK : PGPBBMZZLCBEHQ-UHFFFAOYSA-N

TotalMolweight : 551.843

Molweight : 551.843

MonoisotopicMass : 550.078257

CLogP : 3.017

CLogS : -5.237

H Acceptors : 7

H Donors : 4

TotalSurfaceArea : 378.48

Relative PSA : 0.22448

PolarSurfaceArea : 99.33

Druglikeness : 0.70067

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.61765

Fragments : 1

Non HAtoms : 34

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 8

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 8

Symmetricatoms : 4

Amides : 3

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Request More Details | 4-[[(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoyl]amino]-N-[2-[(4-chlorobenzoyl)amino]ethyl]piperidine-4-carboxamide


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