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

C24H21N5O2 | Cheminformatics
Menu

(E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile

Molecular Formula : C24H21N5O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile is a drug-like molecule.

MolName : (E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile

MolecularFormula : C24H21N5O2

Smiles : N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2

InChI : InChI=1S/C24H21N5O2/c25-14-17(24-26-20-6-2-3-7-21(20)27-24)13-18-15-29(22-8-4-1-5-19(18)22)16-23(30)28-9-11-31-12-10-28/h1-8,13,15H,9-12,16H2,(H,26,27)

InChIK : IBPYXWPECSSPOD-UHFFFAOYSA-N

TotalMolweight : 411.464

Molweight : 411.464

MonoisotopicMass : 411.169525

CLogP : 2.1628

CLogS : -2.489

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 319.52

Relative PSA : 0.22528

PolarSurfaceArea : 86.94

Druglikeness : -0.67762

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.51613

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 18

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 3

BasicNitrogens : 1

StereoCon :

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

Request More Details | (E)-2-(1H-benzimidazol-2-yl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile


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