Name: 2-methoxyethyl N-[4-(3,6-dihydro-2H-pyridin-1-yl)-1-hydroxy-6-(2-methoxyethoxycarbonylamino)pyrimidin-2-ylidene]carbamate

SMILES: COCCOC(=O)NC1=CC(=NC(=NC(=O)OCCOC)N1O)N2CCC=CC2

Molecular Processing

Molecular formula

C17H25N5O7

Molecular weight

411.42

Exact mass

411.1754

XLogP

0.77

TPSA

136.74

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

0.529

Molar refractivity

101.02

Supplementary Information

InChIKey: WVKLSPULJJKWMA-UHFFFAOYSA-N

Synonyme

SCHEMBL11471532GXBHIZNUSOIZKW-UHFFFAOYSA-Nbis(2-methoxyethyl) 6-[3,6-dihydro-1(2H)-pyridyl]-2,4-pyrimidine-dicarbamate-3-oxide