CCCC1=C2N=C(NC(=O)N2C(=N1)C)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC
Name: 4-ethoxy-3-(6-methyl-4-oxo-8-propyl-3H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfonyl chloride
SMILES: CCCC1=C2N=C(NC(=O)N2C(=N1)C)C3=C(C=CC(=C3)S(=O)(=O)Cl)OCC

Molecular Processing

Molecular formula
C17H19ClN4O4S
Molecular weight
410.88
Exact mass
410.0816
XLogP
2.67
TPSA
106.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
101.98

Supplementary Information

InChIKey: CHSDHVNWJGEYHL-UHFFFAOYSA-N
Synonyme
SCHEMBL5891167CHSDHVNWJGEYHL-UHFFFAOYSA-N4-ethoxy-3-(6-methyl-4-oxo-8-propyl-3,4-dihydro-imidazo[1,5-a][1,3,5]triazin-2-yl)-benzene-sulfonyl chloride4-ethoxy-3-(6-methyl-4-oxo-8-propyl-3,4-dihydro-imidazo[1,5-alpha][1,3,5]triazin-2-yl)-benzene-sulfonyl chloride
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