290815-26-8
AVOSENTAN
Name
AVOSENTAN
Formula
C23 H21 N5 O4 S
MolWeight
463.516
1Identification
【Name】
AVOSENTAN
【CAS】
【MDL】
MFCD22124519
【English Synonyms】
【Formula】
C23 H21 N5 O4 S
【MolWeight】
463.516
【Inchi】
InChI=1S/C23H21N5O4S/c1-15-8-9-20(25-14-15)33(29,30)28-21-16(2)23(32-19-7-5-4-6-18(19)31-3)27-22(26-21)17-10-12-24-13-11-17/h4-14H,1-3H3,(H,26,27,28)
【InChIKey】
InChIKey=BWMUUFANIKIZDI-UHFFFAOYSA-N
【SMILES】
Cc1ccc(nc1)S(=O)(=O)Nc2c(c(nc(n2)c3ccncc3)Oc4ccccc4OC)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
AVOSENTAN.cml
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