CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)C3CCCCC3)cc2)n1
SMILES: CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)C3CCCCC3)cc2)n1

Molecular Processing

Molecular formula
C25H27N5O
Molecular weight
413.53
Exact mass
413.2216
XLogP
5.63
TPSA
75.6
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
123.63

Supplementary Information

詳細情報を取得中…

4 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→