CCOC(C(=O)C1=C2C(=CC(=C1)OCC3=CC=CC=C3)NC(=O)CO2)O
CAS: 124955-27-7
名称: 8-(2-ethoxy-2-hydroxyacetyl)-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
SMILES: CCOC(C(=O)C1=C2C(=CC(=C1)OCC3=CC=CC=C3)NC(=O)CO2)O

Molecular Processing

Molecular formula
C19H19NO6
Molecular weight
357.36
Exact mass
357.1212
XLogP
2.13
TPSA
94.09
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
93.3

Supplementary Information

InChIKey: LPHDEWSUQKMYMG-UHFFFAOYSA-N
同義語
SCHEMBL563580SCHEMBL29749604LPHDEWSUQKMYMG-UHFFFAOYSA-N124955-27-7DB-1241396-benzyloxy-8-(2-ethoxy-2-hydroxy-acetyl)-4H-benzo[1,4]oxazin-3-one6-benzyloxy-8-(2-ethoxy-2-hydroxyacetyl)-4H-benzo[1,4]oxazin-3-one
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