Cc1cc(-c2noc(-c3scc4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CN
SMILES: Cc1cc(-c2noc(-c3scc4c3CCC(C)(C)C4)n2)cc(C)c1OCC(O)CN

Molecular Processing

Molecular formula
C23H29N3O3S
Molecular weight
427.57
Exact mass
427.193
XLogP
4.3
TPSA
94.4
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
118.88

Supplementary Information

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