CN1CCN(C(=O)Nc2ccccc2N2CCCc3cc(Br)ccc32)CC1.O=C(O)/C=C\C(=O)O
SMILES: CN1CCN(C(=O)Nc2ccccc2N2CCCc3cc(Br)ccc32)CC1.O=C(O)/C=C\C(=O)O

Molecular Processing

Molecular formula
C25H29BrN4O5
Molecular weight
545.43
Exact mass
544.1321
XLogP
4.02
TPSA
113.42
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.32
Molar refractivity
138.41

Supplementary Information

詳細情報を取得中…

5 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→