CC(C)C1=CC=C(C=C1)CC(C)(C)NCC(C2=C3C(=CC(=C2)OCC4=CC=CC=C4)NC(=O)CO3)O
名称: 8-[1-hydroxy-2-[[2-methyl-1-(4-propan-2-ylphenyl)propan-2-yl]amino]ethyl]-6-phenylmethoxy-4H-1,4-benzoxazin-3-one
SMILES: CC(C)C1=CC=C(C=C1)CC(C)(C)NCC(C2=C3C(=CC(=C2)OCC4=CC=CC=C4)NC(=O)CO3)O

Molecular Processing

Molecular formula
C30H36N2O4
Molecular weight
488.63
Exact mass
488.2675
XLogP
5.36
TPSA
79.82
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
142.62

Supplementary Information

InChIKey: UNMPRVCAVLNOSE-UHFFFAOYSA-N
同義語
SCHEMBL564854UNMPRVCAVLNOSE-UHFFFAOYSA-N6-benzyloxy-8-{1-hydroxy-2-[2-(4-isopropyl-phenyl)-1,1-dimethyl-ethylamino]-ethyl}-4H-benzo[1,4]oxazin-3-one6-benzyloxy-8-{1-hydroxy-2-[2-(4-isopropylphenyl)-1,1-dimethylethylamino]ethyl}-4H-benzo[1,4]oxazin-3-one
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