955693-76-2
2-[[(4-FLUOROPHENYL)SULFONYL]AMINO]-4-METHYL-N-(4-PHENOXYPHENYL)-5-THIAZOLECARBOXAMIDE
Name2-[[(4-FLUOROPHENYL)SULFONYL]AMINO]-4-METHYL-N-(4-PHENOXYPHENYL)-5-THIAZOLECARBOXAMIDE
FormulaC23 H18 F N3 O4 S2
1Identification
【Name】
2-[[(4-FLUOROPHENYL)SULFONYL]AMINO]-4-METHYL-N-(4-PHENOXYPHENYL)-5-THIAZOLECARBOXAMIDE
【CAS】
【MDL】
MFCD15528514
【English Synonyms】
【Formula】
C23 H18 F N3 O4 S2
【MolWeight】
483.542
【Inchi】
InChI=1S/C23H18FN3O4S2/c1-15-21(32-23(25-15)27-33(29,30)20-13-7-16(24)8-14-20)22(28)26-17-9-11-19(12-10-17)31-18-5-3-2-4-6-18/h2-14H,1H3,(H,25,27)(H,26,28)
【InChIKey】
InChIKey=BCKKHCKVXBSHTR-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)NS(=O)(=O)c2ccc(cc2)F)C(=O)Nc3ccc(cc3)Oc4ccccc4
【MOL File】
2-[[(4-FLUOROPHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[(4-FLUOROPHENYL)SULFONYL]AMINO]-4-METHYL-N-(4-PHENOXYPHENYL)-5-THIAZOLECARBOXAMIDE.cml