COc1ccc(-c2ccc(C(=O)NCCOc3ccc(CC(C)(Oc4ccc(C(C)C)cc4)C(=O)O)cc3)cn2)cc1
SMILES: COc1ccc(-c2ccc(C(=O)NCCOc3ccc(CC(C)(Oc4ccc(C(C)C)cc4)C(=O)O)cc3)cn2)cc1

Molecular Processing

Molecular formula
C34H36N2O6
Molecular weight
568.67
Exact mass
568.2573
XLogP
6.15
TPSA
106.98
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
42
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.265
Molar refractivity
161.4

Supplementary Information

詳細情報を取得中…

2 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→