이름: 3-(7-cyclopropyl-4-methyl-3-oxo-2,3,4,10-tetrahydro-9-oxa-1,2,4a-triaza-phenanthren-6-yloxy)-azetidine-1-carboxylic acid tert-butyl ester
SMILES:
CC1C(=O)NN=C2COc3cc(C4CC4)c(OC4CN(C(=O)OC(C)(C)C)C4)cc3N21Molecular Processing
Molecular formula
C22H28N4O5
Molecular weight
428.49
Exact mass
428.206
XLogP
2.59
TPSA
92.7
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
31
Rings
5
Aromatic rings
1
Saturated rings
2
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
113.65
Supplementary Information
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