CCOC(=O)C1Cc2cc(OCCOC)cc(N(C3CC3)S(=O)(=O)c3ccccn3)c2N1C(=O)OC(C)(C)C
SMILES: CCOC(=O)C1Cc2cc(OCCOC)cc(N(C3CC3)S(=O)(=O)c3ccccn3)c2N1C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C27H35N3O8S
Molecular weight
561.66
Exact mass
561.2145
XLogP
3.69
TPSA
124.57
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
39
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
143.57

Supplementary Information

詳細情報を取得中…

10 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→