537677-90-0
3-[(6-BROMO-2-OXO-2H-1-BENZOPYRAN-3-YL)CARBONYL]-2-(4-METHYLPHENYL)-THIAZOLIDINE
Name3-[(6-BROMO-2-OXO-2H-1-BENZOPYRAN-3-YL)CARBONYL]-2-(4-METHYLPHENYL)-THIAZOLIDINE
1Identification
【Name】
3-[(6-BROMO-2-OXO-2H-1-BENZOPYRAN-3-YL)CARBONYL]-2-(4-METHYLPHENYL)-THIAZOLIDINE
【CAS】
【MDL】
MFCD03618288
【English Synonyms】
【Formula】
C20 H16 Br N O3 S
【MolWeight】
430.32
【Inchi】
InChI=1S/C20H16BrNO3S/c1-12-2-4-13(5-3-12)19-22(8-9-26-19)18(23)16-11-14-10-15(21)6-7-17(14)25-20(16)24/h2-7,10-11,19H,8-9H2,1H3
【InChIKey】
InChIKey=AHLOYDTWZUVSAV-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)C2N(CCS2)C(=O)c3cc4cc(ccc4oc3=O)Br
【MOL File】
3-[(6-BROMO-2-OXO-2H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[(6-BROMO-2-OXO-2H-1-BENZOPYRAN-3-YL)CARBONYL]-2-(4-METHYLPHENYL)-THIAZOLIDINE.cml