COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)c1ccccc1
SMILES: COC(=O)c1sc(C2=CCCCC2)cc1N(C(=O)C1CCC(C)CC1)c1ccccc1

Molecular Processing

Molecular formula
C26H31NO3S
Molecular weight
437.61
Exact mass
437.2025
XLogP
6.98
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
126.81

Supplementary Information

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