CC(=O)c1ccc2c(c1)ncn2-c1cccc(C2=CCCN(C)C2)c1
SMILES: CC(=O)c1ccc2c(c1)ncn2-c1cccc(C2=CCCN(C)C2)c1

Molecular Processing

Molecular formula
C21H21N3O
Molecular weight
331.42
Exact mass
331.1685
XLogP
3.95
TPSA
38.13
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
101.17

Supplementary Information

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