이름: 4-(4,4-dimethyl-2-oxo-1H-3,1-benzoxazin-6-yl)furan-2-carbaldehyde
SMILES:
CC1(C2=C(C=CC(=C2)C3=COC(=C3)C=O)NC(=O)O1)CMolecular Processing
Molecular formula
C15H13NO4
Molecular weight
271.27
Exact mass
271.0845
XLogP
3.56
TPSA
68.54
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
72.66
Supplementary Information
InChIKey: SAEGXQBZONVMAM-UHFFFAOYSA-N
동의어
SCHEMBL4166325SAEGXQBZONVMAM-UHFFFAOYSA-N4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d] [1,3]oxazin-6-yl)-furan-2-carbaldehyde4-(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-benzo[d][1,3]oxazin-6-yl)-furan-2-carbaldehyde
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