Compound C22H31N3O6

[(7R,8S)-11-heptoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate

CAS: 56981-66-9

Molecular Formula	`C22H31N3O6`
Molecular Weight	433.5 g/mol
LogP	3.1
Topological Polar Surface Area	130.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	433.22128
Heavy Atoms	31
Complexity	865.0

Chemical Identifiers

CAS Number	56981-66-9
SMILES	`CCCCCCCOC1=C(C(=O)C2=C(C1=O)C(C3(N2CC4C3N4)OC)COC(=O)N)C`
InChIKey	`KNMGNKQWJPOPQU-VLPVLYFYSA-N`

📖 Product Overview

Compound C22H31N3O6 (CAS: 56981-66-9) is a chemical compound with molecular formula C22H31N3O6 and molecular weight 433.5 g/mol. Its IUPAC systematic name is [(7R,8S)-11-heptoxy-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate. LogP 3.1 Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 11 Exact Mass 433.22128 Heavy Atoms 31 Complexity 865.0 InChI Key: KNMGNKQWJPOPQU-VLPVLYFYSA-N. SMILES: CCCCCCCOC1=C(C(=O)C2=C(C1=O)C(C3(N2CC4C3N4)OC)COC(=O)N)C.

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