Carsatrin, (S)-

(2S)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol

CAS: 125345-93-9

Molecular Formula	`C25H26F2N6OS`
Molecular Weight	496.6 g/mol
LogP	3.6
Topological Polar Surface Area	106.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	496.1857
Heavy Atoms	35
Complexity	621.0

Chemical Identifiers

CAS Number	125345-93-9
SMILES	`C1CN(CCN1CC(CSC2=NC=NC3=C2NC=N3)O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F`
InChIKey	`JOMBZLFCXNSKEQ-NRFANRHFSA-N`

📖 Product Overview

Carsatrin, (S)- (CAS: 125345-93-9) is a chemical compound with molecular formula C25H26F2N6OS and molecular weight 496.6 g/mol. Its IUPAC systematic name is (2S)-1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol. LogP 3.6 Topological Polar Surface Area 106.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 8 Exact Mass 496.1857 Heavy Atoms 35 Complexity 621.0 InChI Key: JOMBZLFCXNSKEQ-NRFANRHFSA-N. SMILES: C1CN(CCN1CC(CSC2=NC=NC3=C2NC=N3)O)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.

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