CS(=O)(=O)N(CCC1CCCCN1C2=NC(=NC=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5
الاسم: N-(1,3-benzodioxol-5-ylmethyl)-N-[2-[1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]ethyl]methanesulfonamide
SMILES: CS(=O)(=O)N(CCC1CCCCN1C2=NC(=NC=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Molecular Processing

Molecular formula
C23H28N6O4S
Molecular weight
484.58
Exact mass
484.1893
XLogP
2.6
TPSA
102.68
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
34
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
126.57

Supplementary Information

InChIKey: ZBMGBVXBUNMMCD-UHFFFAOYSA-N
مرادفات
SCHEMBL5193003ZBMGBVXBUNMMCD-UHFFFAOYSA-NN-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-N-(methylsulfonyl)piperidine-2-ethanamine
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