CCOC(=O)C1=CN2C3=C(C4=CC=CC=C4C3)NC(=O)C2=N1
Название: ethyl 7-oxo-2,5,8-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10,12,14-hexaene-4-carboxylate
SMILES: CCOC(=O)C1=CN2C3=C(C4=CC=CC=C4C3)NC(=O)C2=N1

Molecular Processing

Molecular formula
C16H13N3O3
Molecular weight
295.3
Exact mass
295.0957
XLogP
1.77
TPSA
76.46
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
80.01

Supplementary Information

InChIKey: IIMLLMNKDACERY-UHFFFAOYSA-N
Синонимы
CHEMBL14639IIMLLMNKDACERY-UHFFFAOYSA-Nethyl 4,5-dihydro-4-oxo-10H-imidazo[1,2-a]indeno[1,2-e]pyrazine-2-carboxylateethyl 4,5-dihydro-4-oxo-10H-imidazol[1,2-a]indeno[1,2-e]pyrazine-2-carboxylate
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