95058-70-1
NICTIAZEM
Name
NICTIAZEM
Formula
C26 H27 N3 O4 S
MolWeight
477.582
1Identification
【Name】
NICTIAZEM
【CAS】
【MDL】
MFCD00864503
【English Synonyms】
【Formula】
C26 H27 N3 O4 S
【MolWeight】
477.582
【Inchi】
InChI=1S/C26H27N3O4S/c1-28(2)15-16-29-21-8-4-5-9-22(21)34-24(18-10-12-20(32-3)13-11-18)23(25(29)30)33-26(31)19-7-6-14-27-17-19/h4-14,17,23-24H,15-16H2,1-3H3/t23-,24+/m1/s1
【InChIKey】
InChIKey=DSYNMAGEJOOLTQ-RPWUZVMVSA-N
【SMILES】
CN(C)CCN1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)c3cccnc3)c4ccc(cc4)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
NICTIAZEM.cml
Quick Release
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