Name: 3-methyl-3-(4-methyl-3-oxo-7-trifluoromethyl-2,3,4,10-tetrahydro-9-oxa-1,2,4a-triaza-phenanthren-6-ylamino)-azetidine-1-carboxylic acid tert-butyl ester
SMILES:
CC1C(=O)NN=C2COc3cc(C(F)(F)F)c(NC4(C)CN(C(=O)OC(C)(C)C)C4)cc3N21Molecular Processing
Molecular formula
C21H26F3N5O4
Molecular weight
469.46
Exact mass
469.1937
XLogP
3.16
TPSA
95.5
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
2
Heavy atoms
33
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
114.29
Supplementary Information
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