CCOC(=O)c1nc2n(c(=O)c1O)CC1CCC2(NC(=O)OCc2ccccc2)CC1
이름: ethyl 5-hydroxy-6-oxo-1-(phenylmethoxycarbonylamino)-3,7-diazatricyclo[7.2.2.02,7]trideca-2,4-diene-4-carboxylate
SMILES: CCOC(=O)c1nc2n(c(=O)c1O)CC1CCC2(NC(=O)OCc2ccccc2)CC1

Molecular Processing

Molecular formula
C22H25N3O6
Molecular weight
427.46
Exact mass
427.1743
XLogP
2.45
TPSA
119.75
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
109.52

Supplementary Information

InChIKey: RFDFHHDCRHWKJG-UHFFFAOYSA-N
동의어
SCHEMBL52246RFDFHHDCRHWKJG-UHFFFAOYSA-NEthyl 10-(((benzyloxy)carbonyl)amino)-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylate
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