
 SCHEMBL9999155

 68 72  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL9999155

>  <PubChem CID>
68004041

>  <Formula>
C24H31F3N6O3S

>  <Molecular Weight>
540.606000

>  <IUPAC Name>
N-[1-[4-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
C1CC(CCC1N2CCS(=O)(=O)CC2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CC(CCC1N2CCS(=O)(=O)CC2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C24H31F3N6O3S/c25-24(26,27)16-1-6-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-33(14-17)19-4-2-18(3-5-19)32-7-9-37(35,36)10-8-32/h1,6,11,15,17-19H,2-5,7-10,12-14H2,(H,31,34)(H,28,29,30)

>  <InChI Key>
UFFAGXRZBXPFQV-UHFFFAOYSA-N

