CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=S)NC(=O)c1ccccc1)c1ccccc12
名称: 20g
SMILES: CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1NC(=S)NC(=O)c1ccccc1)c1ccccc12

Molecular Processing

Molecular formula
C31H36N4OS
Molecular weight
512.72
Exact mass
512.261
XLogP
6.34
TPSA
47.61
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
37
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.355
Molar refractivity
156.83

Supplementary Information

詳細情報を取得中…

3 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→