Nombre: methyl (2S)-2-hydroxy-2-[(22S)-4,17,22,28-tetramethyl-21,27-dioxa-1,5,7,8-tetraazahexacyclo[26.2.2.16,9.110,14.02,7.015,20]tetratriaconta-2,4,6(34),8,10(33),11,13,15(20),16,18-decaen-3-yl]acetate
SMILES:
COC(=O)[C@@H](O)c1c(C)nc2cc3nn2c1N1CCC(C)(CC1)OCCCC[C@H](C)Oc1ccc(C)cc1-c1cccc-3c1Molecular Processing
Molecular formula
C35H42N4O5
Molecular weight
598.74
Exact mass
598.3155
XLogP
6.21
TPSA
98.42
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
44
Rings
7
Aromatic rings
4
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.457
Molar refractivity
170.05
Supplementary Information
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