이름: tert-butyl 2-hydroxyethyl(2-(6-nitro-2H-benzo[b][1,4]thiazin-4(3H)-yl)ethyl)carbamate
SMILES:
CC(C)(C)OC(=O)N(CCO)CCN1CCSc2ccc([N+](=O)[O-])cc21Molecular Processing
Molecular formula
C17H25N3O5S
Molecular weight
383.47
Exact mass
383.1515
XLogP
2.74
TPSA
96.15
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
100.93
Supplementary Information
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