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

C24H22N3O4Br | Cheminformatics
Menu

(2-morpholin-4-yl-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

Molecular Formula : C24H22N3O4Br | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(2-morpholin-4-yl-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate is a drug-like molecule.

MolName : (2-morpholin-4-yl-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate

MolecularFormula : C24H22N3O4Br

Smiles : O=C(COC(/C=C/c1cn(-c2ccccc2)nc1-c(cc1)ccc1Br)=O)N1CCOCC1

InChI : InChI=1S/C24H22BrN3O4/c25-20-9-6-18(7-10-20)24-19(16-28(26-24)21-4-2-1-3-5-21)8-11-23(30)32-17-22(29)27-12-14-31-15-13-27/h1-11,16H,12-15,17H2

InChIK : FMZVIIAUAZXGBV-UHFFFAOYSA-N

TotalMolweight : 496.36

Molweight : 496.36

MonoisotopicMass : 495.079368

CLogP : 2.8652

CLogS : -3.946

H Acceptors : 7

TotalSurfaceArea : 346.97

Relative PSA : 0.19445

PolarSurfaceArea : 73.66

Druglikeness : 1.7384

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.53125

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 7

Symmetricatoms : 6

Amides : 1

Aromatic Nitrogens : 2

StereoCon :

Click to Load Molecule:
1 - (2-morpholin-4-yl-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
2 - (2-morpholin-4-yl-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (2-morpholin-4-yl-2-oxoethyl) (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate


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