Name: [2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylphenyl]-[4-(3-morpholin-4-ylpropoxy)-1,3-dihydroisoindol-2-yl]methanone

SMILES: CC(=C)C1=CC(=C(C=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)C(=O)N4CC5=C(C4)C(=CC=C5)OCCCN6CCOCC6

Molecular Processing

Molecular formula

C39H42N2O5

Molecular weight

618.77

Exact mass

618.3094

XLogP

7.13

TPSA

60.47

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.308

Molar refractivity

180.09

Supplementary Information

InChIKey: NRRWSFMDCJNMNW-UHFFFAOYSA-N

Synonyms

SCHEMBL384701NRRWSFMDCJNMNW-UHFFFAOYSA-N(2,4-bis-benzyloxy-5-isopropenyl-phenyl)-[4-(3-morpholin-4-yl-propoxy)-1,3-dihydro-isoindol-2-yl]-methanone