C1CN(CC2=C1N=C(NC2=O)C3=CC(=CC(=C3)Cl)Cl)CC4=CC=CC=C4
Name: 6-benzyl-2-(3,5-dichlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILES: C1CN(CC2=C1N=C(NC2=O)C3=CC(=CC(=C3)Cl)Cl)CC4=CC=CC=C4

Molecular Processing

Molecular formula
C20H17Cl2N3O
Molecular weight
386.28
Exact mass
385.0749
XLogP
4.3
TPSA
48.99
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
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
0.2
Molar refractivity
104.57

Supplementary Information

InChIKey: LWZCOXZCYBORAE-UHFFFAOYSA-N
Synonyme
SCHEMBL4806616LWZCOXZCYBORAE-UHFFFAOYSA-N6-Benzyl-2-(3,5-dichloro-phenyl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-ol
Quelle anzeigen →
An 8 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→