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Chemical structure of TVD-0003510

GC65882

TVD-0003510

Also known as 5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide

TVD-0003510 is a carboxamide derivative, and involves in synthesis of (2-((6-(2-aminopyrimidine-5-carboxamido)-8-methoxy-3,4-dihydro-2H-pyrimido[1,2-c]quinazolin-9-yl)oxy)ethyl)piperazine-l-carboxylate (C51), as a part of tert-butyl2-(4-hydroxyphenyl)acetate

ChemicalCAS2355276-51-4MW464.56FormulaC25H32N6O3
CAS number
2355276-51-4
Molecular weight
464.56
Formula
C25H32N6O3
Solubility
DMSO : 100 mg/mL (215·26 mM; Need ultrasonic)
InChIKey
SEJLSUIGJULNEN-UHFFFAOYSA-N
Catalogue number
GC65882
Brand
GLPBIO
Computed properties PubChem CID 137297621 · XLogP 2.3 · TPSA 116 Ų · H-bond donors 4
XLogP
2.3
TPSA
116 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
34

SMILES CCNC(=O)C1=NN=C(N1C2=CC=C(C=C2)CN3CCNCC3)C4=CC(=C(C=C4O)O)C(C)C

Computed descriptors from PubChem (CID 137297621), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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