Agn-PC-0loga3
2-phenylmethoxyethyl N-(1,3-benzodioxol-5-ylmethyl)-N-[15,16-bis(4-hydroxybutyl)-4-(4-methylsulfanylphenoxy)-12-(oxan-2-yloxyimino)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]carbamate
Also Known As: AGN-PC-0LOGA3|CLL1_008693|2-(Benzyloxy)ethyl [(2H-1,3-benzodioxol-5-yl)methyl]{1,2-bis(4-hydroxybutyl)-10-[4-(methylsulfanyl)phenoxy]-4-{[(oxan-2-yl)oxy]imino}-6a-[(prop-2-en-1-yl)oxy]-1,2,4,5,6,6a,11b,11c-octahydrobenzo[kl]xanthen-6-yl}carbamate
| Molecular Formula | C57H68N2O12S |
|---|---|
| Molecular Weight | 1004.4493 g/mol |
| LogP | 10.9453 |
| Topological Polar Surface Area | 156.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 24 |
| Exact Mass | 1004.4493 |
| Monoisotopic Mass | 1004.4493 |
| Heavy Atoms | 72 |
| Complexity | 2481.9114 |
Chemical Identifiers
| CAS Number | 5213-77-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)OC2=CC3=C(C=C2)OC4(C(CC(=NOC5CCCCO5)C6=CC(C(C3C64)CCCCO)CCCCO)N(CC7=CC8=C(C=C7)OCO8)C(=O)OCCOCC9=CC=CC=C9)OCC=C |
Product Overview
Agn-PC-0loga3 (CAS 5213-77-4), with molecular formula C57H68N2O12S and molecular weight 1004.4493 g/mol. IUPAC: 2-phenylmethoxyethyl N-(1,3-benzodioxol-5-ylmethyl)-N-[15,16-bis(4-hydroxybutyl)-4-(4-methylsulfanylphenoxy)-12-(oxan-2-yloxyimino)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]carbamate.
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