791597-51-8
2-(2-(2-OXO-2H-CHROMEN-7-YLOXY)ACETAMIDO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXAMIDE
Name2-(2-(2-OXO-2H-CHROMEN-7-YLOXY)ACETAMIDO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXAMIDE
1Identification
【Name】
2-(2-(2-OXO-2H-CHROMEN-7-YLOXY)ACETAMIDO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXAMIDE
【CAS】
【MDL】
MFCD06361723
【English Synonyms】
【Formula】
C19 H16 N2 O5 S
【MolWeight】
384.41
【Inchi】
InChI=1S/C19H16N2O5S/c20-18(24)17-12-2-1-3-14(12)27-19(17)21-15(22)9-25-11-6-4-10-5-7-16(23)26-13(10)8-11/h4-8H,1-3,9H2,(H2,20,24)(H,21,22)
【InChIKey】
InChIKey=SSUVTXALLWEJKC-UHFFFAOYSA-N
【SMILES】
c1cc(cc2c1ccc(=O)o2)OCC(=O)Nc3c(c4c(s3)CCC4)C(=O)N
【MOL File】
2-(2-(2-OXO-2H-CHROM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(2-OXO-2H-CHROMEN-7-YLOXY)ACETAMIDO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXAMIDE.cml