الاسم: 3-(1-(5-chloropyrimidin-2-yl)cyclopropyl)-5-((3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-hydroxy-1-isopropyl-5a,5b,8,8,11a-pentamethyl-2-oxo-3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,11b,12,13,13a-octadecahydro-2H-cyclopenta[a]chrysen-3a-yl)oxazolidin-2-one
SMILES:
CC(C)C1=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C2CN(C3(c4ncc(Cl)cn4)CC3)C(=O)O2)CC1=OMolecular Processing
Molecular formula
C39H54ClN3O4
Molecular weight
664.33
Exact mass
663.3803
XLogP
8.28
TPSA
92.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
47
Rings
8
Aromatic rings
1
Saturated rings
6
Aliphatic rings
7
Stereo centers
9
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.795
Molar refractivity
180.36
Supplementary Information
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