95891-29-5 Purity
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Specification
The molecular formula is C23H29N3O4.
Some synonyms include 95893-19-9 and 2-(4-(3-(tert-Butylamino)-2-hydroxypropoxy)phenyl)-3-methyl-6-methoxy-4(3H)-quinazolinone.
It was created on 2005-08-08 and last modified on 2023-12-30.
The InChIKey is NJLURZOPCFJTSE-UHFFFAOYSA-N.
The canonical SMILES representation is CC(C)(C)NCC(COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)C(=O)N2C)O.
The molecular weight is 411.5 g/mol.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 83.4 Å2.
It has 8 rotatable bond counts.
Yes, the compound is canonicalized.