941967-04-0
5-THIAZOLECARBOXAMIDE, N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-METHYL-2-[(PHENYLSULFONYL)AMINO]-
Name5-THIAZOLECARBOXAMIDE, N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-METHYL-2-[(PHENYLSULFONYL)AMINO]-
1Identification
【Name】
5-THIAZOLECARBOXAMIDE, N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-METHYL-2-[(PHENYLSULFONYL)AMINO]-
【CAS】
【MDL】
MFCD09245604
【English Synonyms】
【Formula】
C19 H17 N3 O5 S2
【MolWeight】
431.491
【Inchi】
InChI=1S/C19H17N3O5S2/c1-12-17(18(23)20-10-13-7-8-15-16(9-13)27-11-26-15)28-19(21-12)22-29(24,25)14-5-3-2-4-6-14/h2-9H,10-11H2,1H3,(H,20,23)(H,21,22)
【InChIKey】
InChIKey=FLCTVRUVLRDLRY-UHFFFAOYSA-N
【SMILES】
Cc1c(sc(n1)NS(=O)(=O)c2ccccc2)C(=O)NCc3ccc4c(c3)OCO4
【MOL File】
5-THIAZOLECARBOXAMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-THIAZOLECARBOXAMIDE, N-(1,3-BENZODIOXOL-5-YLMETHYL)-4-METHYL-2-[(PHENYLSULFONYL)AMINO]-.cml