CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1c(C)nn2C(C)C
SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(-c2ccnc(N3CCN(C)CC3)c2)cc2c1c(C)nn2C(C)C

Molecular Processing

Molecular formula
C32H41N7O2
Molecular weight
555.73
Exact mass
555.3322
XLogP
4.62
TPSA
99.15
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
41
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
164.76

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→