125363-87-3
CARSATRIN
Name
CARSATRIN
Formula
C25 H26 F2 N6 O S
MolWeight
496.583
1Identification
【Name】
CARSATRIN
【CAS】
【MDL】
MFCD00867128
【English Synonyms】
【Formula】
C25 H26 F2 N6 O S
【MolWeight】
496.583
【Inchi】
InChI=1S/C25H26F2N6OS/c26-19-5-1-17(2-6-19)23(18-3-7-20(27)8-4-18)33-11-9-32(10-12-33)13-21(34)14-35-25-22-24(29-15-28-22)30-16-31-25/h1-8,15-16,21,23,34H,9-14H2,(H,28,29,30,31)
【InChIKey】
InChIKey=JOMBZLFCXNSKEQ-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(c2ccc(cc2)F)N3CCN(CC3)CC(CSc4c5c([nH]cn5)ncn4)O)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CARSATRIN.cml
Quick Release
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