129303-28-2
1,3,3A,4,9,9A-HEXAHYDRO-4-(4-CHLOROBENZOYL)THIENO(3,4-B)QUINOXALINE 2,2-DIOXIDE
Name1,3,3A,4,9,9A-HEXAHYDRO-4-(4-CHLOROBENZOYL)THIENO(3,4-B)QUINOXALINE 2,2-DIOXIDE
FormulaC17 H15 Cl N2 O3 S
1Identification
【Name】
1,3,3A,4,9,9A-HEXAHYDRO-4-(4-CHLOROBENZOYL)THIENO(3,4-B)QUINOXALINE 2,2-DIOXIDE
【CAS】
【MDL】
MFCD01680463
【English Synonyms】
【Formula】
C17 H15 Cl N2 O3 S
【MolWeight】
362.836
【Inchi】
InChI=1S/C17H15ClN2O3S/c18-12-7-5-11(6-8-12)17(21)20-15-4-2-1-3-13(15)19-14-9-24(22,23)10-16(14)20/h1-8,14,16,19H,9-10H2
【InChIKey】
InChIKey=NIDUBXPZSRHJBS-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)NC3CS(=O)(=O)CC3N2C(=O)c4ccc(cc4)Cl
【MOL File】
1,3,3A,4,9,9A-HEXAHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,3A,4,9,9A-HEXAHYDRO-4-(4-CHLOROBENZOYL)THIENO(3,4-B)QUINOXALINE 2,2-DIOXIDE.cml