Name: 1-tert-butyl 4-methyl 4-(3-(4-(benzo[d]thiazol-2-yl(tert-butoxycarbonyl)amino)phenoxy)pyrazin-2-yl)piperidine-1,4-dicarboxylate
SMILES:
COC(=O)C1(c2nccnc2Oc2ccc(N(C(=O)OC(C)(C)C)c3nc4ccccc4s3)cc2)CCN(C(=O)OC(C)(C)C)CC1Molecular Processing
Molecular formula
C34H39N5O7S
Molecular weight
661.78
Exact mass
661.257
XLogP
7.39
TPSA
133.28
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
6
Heavy atoms
47
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
177.28
Supplementary Information
Details werden geladen…
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