CCNC1CCCN(C(=O)[C@H](C)N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)C1
SMILES: CCNC1CCCN(C(=O)[C@H](C)N2CC[C@H](NS(=O)(=O)c3ccc4cc(Cl)ccc4c3)C2=O)C1

Molecular Processing

Molecular formula
C24H31ClN4O4S
Molecular weight
507.06
Exact mass
506.1755
XLogP
2.36
TPSA
98.82
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
132.14

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→