SMILES:
CCCCOC(=O)C(CCc1ccccc1)NC1CSC(c2cccs2)CN(CC(=O)O)C1=OMolecular Processing
Molecular formula
C25H32N2O5S2
Molecular weight
504.67
Exact mass
504.1753
XLogP
3.75
TPSA
95.94
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
135.08
Supplementary Information
詳細情報を取得中…
2 件の反応に参加→