methyl 2-(3-((((3aR,4R,6R,6aR)-6-(4-((2,4-dimethoxybenzyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro furo[3,4-d][1,3]dioxol-4-yl)methyl)amino)cyclobutyl)acetate

Identifiers & Physical Properties

Molecular formula	C30H39N5O7
Average molar mass	581.7 g/mol
SMILES	COC(=O)CC1CC(NC[C@H]2O[C@@H](n3ccc4c(NCc5ccc(OC)cc5OC)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)C1
InChIKey	NBUXBFNMBNDQIF-RCSHBCCJSA-N
PubChem CID	67775569

XLogP	2.7
Topological polar surface area	127
Hydrogen bond donors	2
Hydrogen bond acceptors	11
Rotatable bonds	12
Heavy atoms	42
Formal charge	0
Complexity	922