CS(=O)C1=NC(=NC(=N1)N)C2(C(C=C3COCC4=C3C2=CC=C4)Cl)C#N
Nom: 8-(4-amino-6-methylsulfinyl-1,3,5-triazin-2-yl)-7-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,9,11-tetraene-8-carbonitrile
SMILES: CS(=O)C1=NC(=NC(=N1)N)C2(C(C=C3COCC4=C3C2=CC=C4)Cl)C#N

Molecular Processing

Molecular formula
C17H14ClN5O2S
Molecular weight
387.85
Exact mass
387.0557
XLogP
1.54
TPSA
114.78
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
0
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
96.68

Supplementary Information

InChIKey: KNIAMGRNMZHXCQ-UHFFFAOYSA-N
Synonymes
KNIAMGRNMZHXCQ-UHFFFAOYSA-N4-(5-chloro-6-cyano-1H,3H benzo[de]isochromen-6-yl)-6-methylsulfinyl-[1,3,5] triazin-2-ylamine4-(5-Chloro-6-cyano-1H,3H benzo[de]isochromen-6-yl)-6-methylsulfinyl-[1,3,5]triazin-2-ylamine
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→