549506-52-7
1-PIPERAZINEACETAMIDE, N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-THIAZOLYLCARBONYL)BUTYL]-4-[(4-CHLOROPHENYL)SULFONYL]-2-OXO-
Name1-PIPERAZINEACETAMIDE, N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-THIAZOLYLCARBONYL)BUTYL]-4-[(4-CHLOROPHENYL)SULFONYL]-2-OXO-
FormulaC21 H26 Cl N7 O5 S2
1Identification
【Name】
1-PIPERAZINEACETAMIDE, N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-THIAZOLYLCARBONYL)BUTYL]-4-[(4-CHLOROPHENYL)SULFONYL]-2-OXO-
【CAS】
【MDL】
MFCD18252931
【English Synonyms】
【Formula】
C21 H26 Cl N7 O5 S2
【MolWeight】
556.065
【Inchi】
InChI=1S/C21H26ClN7O5S2/c22-14-3-5-15(6-4-14)36(33,34)29-10-9-28(18(31)13-29)12-17(30)27-16(2-1-7-26-21(23)24)19(32)20-25-8-11-35-20/h3-6,8,11,16H,1-2,7,9-10,12-13H2,(H,27,30)(H4,23,24,26)/t16-/m0/s1
【InChIKey】
InChIKey=RCRCIDZJGYMMJX-INIZCTEOSA-N
【SMILES】
c1cc(ccc1S(=O)(=O)N2CCN(C(=O)C2)CC(=O)N[C@@H](CCCNC(=N)N)C(=O)c3nccs3)Cl
【MOL File】
1-PIPERAZINEACETAMID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:12
XLogP3:-5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINEACETAMIDE, N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-THIAZOLYLCARBONYL)BUTYL]-4-[(4-CHLOROPHENYL)SULFONYL]-2-OXO-.cml