CCc1[nH]c(C(=O)N[C@H]2CCN(c3nc(C(=O)O)c(C)s3)C[C@H]2OC)nc1C(F)(F)F
SMILES: CCc1[nH]c(C(=O)N[C@H]2CCN(c3nc(C(=O)O)c(C)s3)C[C@H]2OC)nc1C(F)(F)F

Molecular Processing

Molecular formula
C18H22F3N5O4S
Molecular weight
461.47
Exact mass
461.1345
XLogP
2.48
TPSA
120.44
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
105.66

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→