955720-53-3
5-THIAZOLECARBOXAMIDE, N-[(4-METHOXYPHENYL)METHYL]-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-
Name5-THIAZOLECARBOXAMIDE, N-[(4-METHOXYPHENYL)METHYL]-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-
1Identification
【Name】
5-THIAZOLECARBOXAMIDE, N-[(4-METHOXYPHENYL)METHYL]-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-
【CAS】
【MDL】
MFCD15528575
【English Synonyms】
【Formula】
C20 H21 N3 O4 S2
【MolWeight】
431.535
【Inchi】
InChI=1S/C20H21N3O4S2/c1-13-4-10-17(11-5-13)29(25,26)23-20-22-14(2)18(28-20)19(24)21-12-15-6-8-16(27-3)9-7-15/h4-11H,12H2,1-3H3,(H,21,24)(H,22,23)
【InChIKey】
InChIKey=FKTRTZYTCASLEF-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)Nc2nc(c(s2)C(=O)NCc3ccc(cc3)OC)C
【MOL File】
5-THIAZOLECARBOXAMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-THIAZOLECARBOXAMIDE, N-[(4-METHOXYPHENYL)METHYL]-4-METHYL-2-[[(4-METHYLPHENYL)SULFONYL]AMINO]-.cml