$COc1cc(C2NC(=O)c3ccccc3N2)ccc1OCCCCCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC$

SMILES: COc1cc(C2NC(=O)c3ccccc3N2)ccc1OCCCCCOc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC

Molecular Processing

Molecular formula

C38H42N2O8

Molecular weight

654.76

Exact mass

654.2941

XLogP

7.38

TPSA

105.74

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

0.289

Molar refractivity

186.13

Supplementary Information

Details werden geladen…