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

C27H25N3O3 | Cheminformatics
Menu

(E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-(2-phenylmethoxyphenyl)prop-2-en-1-one

Molecular Formula : C27H25N3O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-(2-phenylmethoxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName : (E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-(2-phenylmethoxyphenyl)prop-2-en-1-one

MolecularFormula : C27H25N3O3

Smiles : O=C(/C(/c1nc(cccc2)c2[nH]1)=C/c(cccc1)c1OCc1ccccc1)N1CCOCC1

InChI : InChI=1S/C27H25N3O3/c31-27(30-14-16-32-17-15-30)22(26-28-23-11-5-6-12-24(23)29-26)18-21-10-4-7-13-25(21)33-19-20-8-2-1-3-9-20/h1-13,18H,14-17,19H2,(H,28,29)

InChIK : ZJSMWWWATUMCTK-UHFFFAOYSA-N

TotalMolweight : 439.514

Molweight : 439.514

MonoisotopicMass : 439.189592

CLogP : 3.8371

CLogS : -3.489

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 343.77

Relative PSA : 0.17904

PolarSurfaceArea : 67.45

Druglikeness : 4.1622

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.45455

Fragments : 1

Non HAtoms : 33

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 6

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 21

Sp3Atoms : 7

Symmetricatoms : 4

Amides : 1

Aromatic Nitrogens : 2

BasicNitrogens : 1

StereoCon :

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

Request More Details | (E)-2-(1H-benzimidazol-2-yl)-1-morpholin-4-yl-3-(2-phenylmethoxyphenyl)prop-2-en-1-one


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