CCC(C1=C(C(=O)N2C(=CC=CC2=N1)C)I)N=[N+]=[N-]
Nom: 2-(1-azidopropyl)-3-iodo-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILES: CCC(C1=C(C(=O)N2C(=CC=CC2=N1)C)I)N=[N+]=[N-]

Molecular Processing

Molecular formula
C12H12IN5O
Molecular weight
369.17
Exact mass
369.0087
XLogP
3.37
TPSA
83.13
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
81.09

Supplementary Information

InChIKey: BEOIIGYLPUDFMK-UHFFFAOYSA-N
Synonymes
BEOIIGYLPUDFMK-UHFFFAOYSA-N2-(1-azidopropyl)-3-iodo-6-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→