O=C(O)C(CC1CCOCC1)c1ccc2c(c1)Nc1ccccc1S2(=O)=O
الاسم: 2-(5,5-dioxo-10H-phenothiazin-2-yl)-3-(oxan-4-yl)propanoic acid
SMILES: O=C(O)C(CC1CCOCC1)c1ccc2c(c1)Nc1ccccc1S2(=O)=O

Molecular Processing

Molecular formula
C20H21NO5S
Molecular weight
387.46
Exact mass
387.114
XLogP
3.56
TPSA
92.7
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
100.16

Supplementary Information

InChIKey: OBKOOYNHRPNDDR-UHFFFAOYSA-N
مرادفات
SCHEMBL1989009OBKOOYNHRPNDDR-UHFFFAOYSA-N2-(5,5-dioxo-5,10-dihydrophenothiazin-2-yl)-3-(tetrahydropyran-4-yl)propionic acid
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