methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate

CAS: 97161-97-2

Molecular Formula	`C27H21N3O5`
Molecular Weight	467.5 g/mol
LogP	2.8
Topological Polar Surface Area	94.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	467.14813
Heavy Atoms	35
Complexity	976.0

Chemical Identifiers

CAS Number	97161-97-2
SMILES	`CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O`
InChIKey	`KOZFSFOOLUUIGY-UHFFFAOYSA-N`

📖 Product Overview

methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate (CAS: 97161-97-2) is a chemical compound with molecular formula C27H21N3O5 and molecular weight 467.5 g/mol. Its IUPAC systematic name is methyl 16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylate. LogP 2.8 Topological Polar Surface Area 94.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 467.14813 Heavy Atoms 35 Complexity 976.0 InChI Key: KOZFSFOOLUUIGY-UHFFFAOYSA-N. SMILES: CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O.

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