Name: 2-[2-(5-Methyl-4-imidazolylmethylthio)ethylamino]-5-(3-methoxybenzyl)-4-pyrimidone
SMILES:
COc1cccc(Cc2cnc(NCCSCc3nc[nH]c3C)[nH]c2=O)c1Molecular Processing
Molecular formula
C19H23N5O2S
Molecular weight
385.49
Exact mass
385.1572
XLogP
2.75
TPSA
95.69
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
108.63
Supplementary Information
Details werden geladen…
An 3 Reaktionen beteiligt→