O=C(O)CCCCCNC(=O)C1CCC(CN2C(=O)CC(CCO)C2=S)CC1
SMILES: O=C(O)CCCCCNC(=O)C1CCC(CN2C(=O)CC(CCO)C2=S)CC1

Molecular Processing

Molecular formula
C20H32N2O5S
Molecular weight
412.55
Exact mass
412.2032
XLogP
2.11
TPSA
106.94
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
28
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
108.68

Supplementary Information

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