Name: (S)-2-tert-butoxy-2-(7-(4-chlorophenyl)-2-(7,8-dihydro-1,6-naphthyridin-6(5H)-yl)-5-methylbenzo[d]thiazol-6-yl)acetic acid
SMILES:
Cc1cc2nc(N3CCc4ncccc4C3)sc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)OMolecular Processing
Molecular formula
C28H28ClN3O3S
Molecular weight
522.07
Exact mass
521.154
XLogP
6.82
TPSA
75.55
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.321
Molar refractivity
145.01
Supplementary Information
Details werden geladen…
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