Nombre: tert-butyl(6bR,10aS)-5-(2,4-dichlorophenyl)-1,2,6b,9,10,10a-hexahydropyrido[4,3-b][1,4]thiazino[2,3,4hi]indole-8(7H)-carboxylate 3,3-dioxide
SMILES:
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(-c3ccc(Cl)cc3Cl)cc3c1N2CCS3(=O)=OMolecular Processing
Molecular formula
C24H26Cl2N2O4S
Molecular weight
509.46
Exact mass
508.099
XLogP
5.36
TPSA
66.92
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
33
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.458
Molar refractivity
130.25
Supplementary Information
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