128312-51-6
CINALUKAST
Name
CINALUKAST
Formula
C23 H28 N2 O3 S
MolWeight
412.551
1Identification
【Name】
CINALUKAST
【CAS】
【MDL】
MFCD00864778
【English Synonyms】
【Formula】
C23 H28 N2 O3 S
【MolWeight】
412.551
【Inchi】
InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
【InChIKey】
InChIKey=BZMKNPGKXJAIDV-VAWYXSNFSA-N
【SMILES】
CCC(CC)(CC(=O)Nc1cccc(c1)/C=C/c2nc(cs2)C3CCC3)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【WGK Germany】
3
4CML File
CINALUKAST.cml
Quick Release
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