이름: morpholin-4-yl-[4-nitro-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methoxy]phenyl]methanone

SMILES: C1COCCN1C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8

Molecular Processing

Molecular formula

C44H36N6O5

Molecular weight

728.81

Exact mass

728.2747

XLogP

7.81

TPSA

125.51

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

0.136

Molar refractivity

207.45

Supplementary Information

InChIKey: LODASKJEVXZTNA-UHFFFAOYSA-N

동의어

LODASKJEVXZTNA-UHFFFAOYSA-N3-[[2'-(1-triphenylmethyltetrazol-5-yl)biphenyl-4-yl]methyloxy]-4-nitrobenzoic acid morpholide