CCN[C@H]1CC[C@H](CN(C)c2ccc(N3C(=O)Cc4cc(OC)c(O[C@H](C)CC)cc4C3c3ccc(Cl)cc3)cc2)CC1
名称: solution
SMILES: CCN[C@H]1CC[C@H](CN(C)c2ccc(N3C(=O)Cc4cc(OC)c(O[C@H](C)CC)cc4C3c3ccc(Cl)cc3)cc2)CC1

Molecular Processing

Molecular formula
C36H46ClN3O3
Molecular weight
604.24
Exact mass
603.3228
XLogP
7.81
TPSA
54.04
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
43
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.472
Molar refractivity
176.99

Supplementary Information

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