Name: 8-(5-bromopentoxy)-4-[(3,5-dichloro-4-pyridinyl)amino]-7-methoxychromen-2-one

SMILES: COC1=C(C2=C(C=C1)C(=CC(=O)O2)NC3=C(C=NC=C3Cl)Cl)OCCCCCBr

Molecular Processing

Molecular formula

C20H19BrCl2N2O4

Molecular weight

502.19

Exact mass

499.9905

XLogP

6.19

TPSA

73.59

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

0.3

Molar refractivity

119.72

Supplementary Information

InChIKey: HKZGZKNQDDPIQL-UHFFFAOYSA-N

Synonyms

SCHEMBL3681019HKZGZKNQDDPIQL-UHFFFAOYSA-N8-(5-Bromopentyloxy)-4-(3,5-dichloropyridin-4-ylamino)-7-methoxy-2H-chromen-2-one