이름: {(S)-6-[(4-methoxybenzyl)(tetrahydropyran-4-ylmethyl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-2-yl}carbamic acid tert-butyl ester
SMILES:
COc1ccc(CN(CC2CCOCC2)C(=O)c2ccc3c(c2)CC[C@H](NC(=O)OC(C)(C)C)C3)cc1Molecular Processing
Molecular formula
C30H40N2O5
Molecular weight
508.66
Exact mass
508.2937
XLogP
5.15
TPSA
77.1
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
142.9
Supplementary Information
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