CCOC(=O)C(Cc1cc(C)c(N)c(Cl)c1)NC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1
SMILES: CCOC(=O)C(Cc1cc(C)c(N)c(Cl)c1)NC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1

Molecular Processing

Molecular formula
C27H34ClN5O4
Molecular weight
528.05
Exact mass
527.2299
XLogP
3.97
TPSA
117
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
143.72

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→