COC(=O)C1CCC(CNC(=O)c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1
SMILES: COC(=O)C1CCC(CNC(=O)c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CC1

Molecular Processing

Molecular formula
C34H36Cl2N2O5S
Molecular weight
655.64
Exact mass
654.1722
XLogP
6.61
TPSA
92.78
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
44
Rings
5
Aromatic rings
3
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
173.27

Supplementary Information

詳細情報を取得中…

3 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→