N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin

N-[6-[[3-(2-dodecylsulfanylacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide

Also Known As: N-(Trifluoroacetyl)-14-dodecyl-14-thiaadriamycin|Methanesulfonamide,1,1,1-trifluoro-N-hydroxy|N-[6-[[3-(2-dodecylsulfanylacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide|3-[(Dodecylsulfanyl)acetyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranoside|5,12-Naphthacenedione, 8-((dodecylthio)acetyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-|N-[6-[[3-(2-DODECYLSULFANYLACETYL)-3,5,12-TRIHYDROXY-10-METHOXY-6,11-DIOXO-2,4-DIHYDRO-1H-TETRACEN-1-YL]OXY]-3-HYDROXY-2-METHYL-OXAN-4-YL]-2,2,2-TRIFLUORO-ACETAMIDE

Molecular Formula	C41H52F3NO11S
Molecular Weight	823.3213 g/mol
LogP	9.0
Topological Polar Surface Area	214.0 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	15
Rotatable Bonds	18
Exact Mass	823.3213
Monoisotopic Mass	823.3213
Heavy Atoms	57
Complexity	1390.0

Chemical Identifiers

CAS Number	83291-70-7
SMILES	CCCCCCCCCCCCSCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O
InChIKey	IAJYOYSKGCFTOX-UHFFFAOYSA-N