COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](NCC(=O)NC(C)C)CC3)nc1)C(=O)C2
名称: mixture
SMILES: COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C[C@H]3CC[C@H](NCC(=O)NC(C)C)CC3)nc1)C(=O)C2

Molecular Processing

Molecular formula
C37H48ClN5O4
Molecular weight
662.27
Exact mass
661.3395
XLogP
6.32
TPSA
96.03
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
12
Heavy atoms
47
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.486
Molar refractivity
187.78

Supplementary Information

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