CCOC(=O)CC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3N2C(=O)OC(C)(C)C
이름: tert-butyl 2-(2-ethoxy-2-oxoethyl)-5,5-dioxophenothiazine-10-carboxylate
SMILES: CCOC(=O)CC1=CC2=C(C=C1)S(=O)(=O)C3=CC=CC=C3N2C(=O)OC(C)(C)C

Molecular Processing

Molecular formula
C21H23NO6S
Molecular weight
417.48
Exact mass
417.1246
XLogP
4.01
TPSA
89.98
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
107.05

Supplementary Information

InChIKey: XFPJEHFUDWLLEU-UHFFFAOYSA-N
동의어
SCHEMBL3065112XFPJEHFUDWLLEU-UHFFFAOYSA-Ntert-butyl 2-ethoxycarbonylmethyl-5,5-dioxo-5H-phenothiazine-10-carboxylate
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