이름: tert-butyl 5-(phthalazin-6-yl)thiazol-2-ylcarbamate
SMILES:
CC(C)(C)OC(=O)Nc1ncc(-c2ccc3cnncc3c2)s1Molecular Processing
Molecular formula
C16H16N4O2S
Molecular weight
328.4
Exact mass
328.0994
XLogP
4.1
TPSA
77
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
90.5
Supplementary Information
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