4-BROMO-3-[3-(PENTYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENOL

CAS No.
CCD No.
CCD00234547
Formula
C21 H21 Br N4 O2 S
MolWeight
473.393

Basic Information

Product Name: 4-BROMO-3-[3-(PENTYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENOL
English Synonyms: 4-BROMO-3-[3-(PENTYLSULFANYL)-6,7-DIHYDRO[1,2,4]TRIAZINO[5,6-D][3,1]BENZOXAZEPIN-6-YL]PHENOL
MDL Number.: MFCD01648114
H bond acceptor: 6
H bond donor: 2
Smile: CCCCCSc1nc2c(nn1)-c3ccccc3NC(O2)c4cc(ccc4Br)O
InChi: InChI=1S/C21H21BrN4O2S/c1-2-3-6-11-29-21-24-20-18(25-26-21)14-7-4-5-8-17(14)23-19(28-20)15-12-13(27)9-10-16(15)22/h4-5,7-10,12,19,23,27H,2-3,6,11H2,1H3
InChiKey: InChIKey=IRBSKMCKGRMYHU-UHFFFAOYSA-N

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