
 Safotibant

 69 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
Safotibant

>  <PubChem CID>
11953367

>  <Formula>
C25H34N4O5S

>  <Molecular Weight>
502.630000

>  <IUPAC Name>
N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=CC(=CC(=C1S(=O)(=O)N(C)CCOCC(=O)N(C)CC2=CC=C(C=C2)C3=NCCN3)C)OC

>  <Isomeric SMILES>
CC1=CC(=CC(=C1S(=O)(=O)N(C)CCOCC(=O)N(C)CC2=CC=C(C=C2)C3=NCCN3)C)OC

>  <InChI Std. ID>
InChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27)

>  <InChI Key>
AMTQCENHQIDBHQ-UHFFFAOYSA-N

