Compound C26H38N2O2S

(8R,9S,10R,13S,14S,17R)-17-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

CAS: 96112-87-7

Molecular Formula	`C26H38N2O2S`
Molecular Weight	442.7 g/mol
LogP	5.6
Topological Polar Surface Area	90.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	442.2654
Heavy Atoms	31
Complexity	771.0

Chemical Identifiers

CAS Number	96112-87-7
SMILES	`CCC(C)NC1=NC(=CS1)C2(CCC3C2(CCC4C3CCC5=CC(=O)CCC45C)C)O`
InChIKey	`LNQFKZBMBGVOIQ-MPNJNTBBSA-N`

📖 Product Overview

Compound C26H38N2O2S (CAS: 96112-87-7) is a chemical compound with molecular formula C26H38N2O2S and molecular weight 442.7 g/mol. Its IUPAC systematic name is (8R,9S,10R,13S,14S,17R)-17-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one. LogP 5.6 Topological Polar Surface Area 90.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 442.2654 Heavy Atoms 31 Complexity 771.0 InChI Key: LNQFKZBMBGVOIQ-MPNJNTBBSA-N. SMILES: CCC(C)NC1=NC(=CS1)C2(CCC3C2(CCC4C3CCC5=CC(=O)CCC45C)C)O.

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