C=CCn1c(C(=O)OC)c2c(c(OC)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2
Name: methyl 6-[(3-chloro-4-fluorophenyl)methyl]-4-methoxy-3,5-dioxo-2-prop-2-enyl-7,8-dihydro-2,6-naphthyridine-1-carboxylate
SMILES: C=CCn1c(C(=O)OC)c2c(c(OC)c1=O)C(=O)N(Cc1ccc(F)c(Cl)c1)CC2

Molecular Processing

Molecular formula
C21H20ClFN2O5
Molecular weight
434.85
Exact mass
434.1045
XLogP
2.82
TPSA
77.84
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
108.65

Supplementary Information

InChIKey: SFKALIBLCZUQFK-UHFFFAOYSA-N
Synonyme
SCHEMBL1337872SFKALIBLCZUQFK-UHFFFAOYSA-NMethyl 2-(allyl)-6-(3-chloro-4-fluorobenzyl)-4-methoxy-3,5-dioxo-2,3,5,6,7,8-hexahydro-2,6-naphthyridine-1-carboxylate
Quelle anzeigen →
An 8 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→