N#CN=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccc3c(c2)OCO3)CC1
SMILES: N#CN=c1[nH]c2ccccc2n1C1CCN(CC(O)c2ccc3c(c2)OCO3)CC1

Molecular Processing

Molecular formula
C22H23N5O3
Molecular weight
405.46
Exact mass
405.1801
XLogP
2.45
TPSA
98.8
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
30
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
109.7

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→