7-ACETYL-6-(6-BROMO-1,3-BENZODIOXOL-5-YL)-3-(ETHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE

CAS No.
CCD No.
CCD00279810
Formula
C21 H17 Br N4 O4 S
MolWeight
501.359

Basic Information

Product Name: 7-ACETYL-6-(6-BROMO-1,3-BENZODIOXOL-5-YL)-3-(ETHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
English Synonyms: 7-ACETYL-6-(6-BROMO-1,3-BENZODIOXOL-5-YL)-3-(ETHYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPINE
MDL Number.: MFCD02071133
H bond acceptor: 8
H bond donor: 0
Smile: CCSc1nc2c(nn1)-c3ccccc3N(C(O2)c4cc5c(cc4Br)OCO5)C(=O)C
InChi: InChI=1S/C21H17BrN4O4S/c1-3-31-21-23-19-18(24-25-21)12-6-4-5-7-15(12)26(11(2)27)20(30-19)13-8-16-17(9-14(13)22)29-10-28-16/h4-9,20H,3,10H2,1-2H3
InChiKey: InChIKey=RUXHFCLYPGECEW-UHFFFAOYSA-N

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