CN(C)C=Nc1nc(NC(CCCc2ccccc2)C2CC2)nc(C(C)(C)F)n1
名称: 2-dimethylaminomethyleneamino-4-(1-fluoro-1-methylethyl)-6-(1cyclopropyl-4-phenyl-1-butylamino) -1,3,5-triazine
SMILES: CN(C)C=Nc1nc(NC(CCCc2ccccc2)C2CC2)nc(C(C)(C)F)n1

Molecular Processing

Molecular formula
C22H31FN6
Molecular weight
398.53
Exact mass
398.2594
XLogP
4.51
TPSA
66.3
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
115.31

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→