CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)nc1CF
SMILES: CCOC(=O)c1sc(N2CC[C@H](NC(=O)c3nc(Cl)c(CC)[nH]3)[C@H](OC)C2)nc1CF

Molecular Processing

Molecular formula
C19H25ClFN5O4S
Molecular weight
473.96
Exact mass
473.13
XLogP
2.75
TPSA
109.44
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
114.74

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→