Name: diethyl N-[4-{1-(tetrahydropyr-2-yloxy)-3-(2-pivaloylamino-4-hydroxy-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidin-6-yl)prop-2-yl}benzoyl]glutamate
SMILES:
CCOC(=O)CC[C@H](NC(=O)c1ccc(C(COC2CCCCO2)CC2CNc3nc(NC(=O)C(C)(C)C)nc(O)c3C2)cc1)C(=O)OCCMolecular Processing
Molecular formula
C36H51N5O9
Molecular weight
697.83
Exact mass
697.3687
XLogP
4.47
TPSA
187.3
H-bond donors
4
H-bond acceptors
12
Rotatable bonds
15
Heavy atoms
50
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
4
Undefined stereo
3
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
184.56
Supplementary Information
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