ETHYL 2-[[1-(1-ADAMANTYL)-4-BROMOPYRAZOLE-3-CARBONYL]AMINO]-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE

CAS No.
CCD No.
CCD08125000
Formula
C23 H28 Br N3 O3 S
MolWeight
506.462

Basic Information

Product Name: ETHYL 2-[[1-(1-ADAMANTYL)-4-BROMOPYRAZOLE-3-CARBONYL]AMINO]-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE
English Synonyms: ETHYL 2-[[1-(1-ADAMANTYL)-4-BROMOPYRAZOLE-3-CARBONYL]AMINO]-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE
MDL Number.: MFCD02056276
H bond acceptor: 6
H bond donor: 1
Smile: CCOC(=O)c1c(c(sc1NC(=O)c2c(cn(n2)[C@@]34C[C@H]5C[C@@H](C3)C[C@H](C5)C4)Br)C)C
InChi: InChI=1S/C23H28BrN3O3S/c1-4-30-22(29)18-12(2)13(3)31-21(18)25-20(28)19-17(24)11-27(26-19)23-8-14-5-15(9-23)7-16(6-14)10-23/h11,14-16H,4-10H2,1-3H3,(H,25,28)/t14-,15+,16-,23-
InChiKey: InChIKey=XEGFWKFUZKVUFD-FSUVMKLBSA-N

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