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C23H25N7O5 3-[5-[(Z)-[[4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid | Chemryt

3-[5-[(Z)-[[4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

Molecular Formula : C23H25N7O5 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : |

MolName : 3-[5-[(Z)-[[4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid

MolecularFormula : C23H25N7O5

Smiles : OC(c1cc(-c2ccc(/C=N\Nc3nc(N4COCCC4)nc(N4CCOCC4)n3)o2)ccc1)=O

InChI : InChI=1S/C23H25N7O5/c31-20(32)17-4-1-3-16(13-17)19-6-5-18(35-19)14-24-28-21-25-22(29-8-11-33-12-9-29)27-23(26-21)30-7-2-10-34-15-30/h1,3-6,13-14H,2,7-12,15H2,(H,31,32)(H,25,26,27,28)

InChIK : CZGZALQJKUUDQO-UHFFFAOYSA-N

TotalMolweight : 479.496

Molweight : 479.496

MonoisotopicMass : 479.191718

CLogP : 3.9879

CLogS : -5.813

H Acceptors : 12

H Donors : 2

TotalSurfaceArea : 362.75

Relative PSA : 0.33971

PolarSurfaceArea : 138.44

Druglikeness : 5.0355

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : high

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.51429

Fragments : 1

Non HAtoms : 35

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 7

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 11

Symmetricatoms : 2

Aromatic Nitrogens : 3

BasicNitrogens : 3

AcidicOxygens : 1

Request More Details | 3-[5-[(Z)-[[4-morpholin-4-yl-6-(1,3-oxazinan-3-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]furan-2-yl]benzoic acid


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