CAS: 98123-77-4
Name: 6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
SMILES:
COC1=CC=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)ClMolecular Processing
Molecular formula
C16H11ClN4O
Molecular weight
310.74
Exact mass
310.0621
XLogP
3.61
TPSA
52.31
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
85.29
Supplementary Information
InChIKey: ZHGVCXDOKBSJBV-UHFFFAOYSA-N
Synonyme
6-chloro-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine98123-77-46-Chloro-3-(4-methoxy-phenyl)-[1,2,4]triazolo[3,4-a]phthalazineSCHEMBL496814ZHGVCXDOKBSJBV-UHFFFAOYSA-NCCG-18370STK066379AKOS000601807DB-333411EU-0041463ST50219909AG-690/34449032SR-01000461580SR-01000461580-1BRD-K72379720-001-01-36-chloro-3-(4-methoxy-phenyl)[1,2,4]triazolo[3,4-a]phthalazine6-Chloro-3-(4-methoxyphenyl)-1,2,4-triazolo[3,4-a]phthalazine6-chloro-3-(4-methoxyphenyl)[1,2,4]triazolo[3,4-a]phthalazine4-(6-chloro[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl methyl ether1-(5-chloro(7-hydro-1,2,4-triazolo[3,4-a]phthalazin-8-yl))-4-methoxybenzene
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