Compound C28H26N4O4

(2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

CAS: 112953-11-4

Molecular Formula	`C28H26N4O4`
Molecular Weight	482.5 g/mol
LogP	2.7
Topological Polar Surface Area	89.7 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	482.1954
Heavy Atoms	36
Complexity	935.0

Chemical Identifiers

CAS Number	112953-11-4
SMILES	`CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC`
InChIKey	`PBCZSGKMGDDXIJ-HQCWYSJUSA-N`

📖 Product Overview

Compound C28H26N4O4 (CAS: 112953-11-4) is a chemical compound with molecular formula C28H26N4O4 and molecular weight 482.5 g/mol. Its IUPAC systematic name is (2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one. LogP 2.7 Topological Polar Surface Area 89.7 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 482.1954 Heavy Atoms 36 Complexity 935.0 InChI Key: PBCZSGKMGDDXIJ-HQCWYSJUSA-N. SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC.

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