CCO[C@H](C)C[C@@H](C(=O)Nc1ccn(CC(C)(C)O)n1)N1CC(Oc2cccc(Cl)c2Cl)=CC1=O
SMILES: CCO[C@H](C)C[C@@H](C(=O)Nc1ccn(CC(C)(C)O)n1)N1CC(Oc2cccc(Cl)c2Cl)=CC1=O

Molecular Processing

Molecular formula
C24H30Cl2N4O5
Molecular weight
525.43
Exact mass
524.1593
XLogP
3.89
TPSA
105.92
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
35
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
133.53

Supplementary Information

詳細情報を取得中…

1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→