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383150-41-2
JTE 013
Name
JTE 013
Formula
C17 H19 Cl2 N7 O
MolWeight
408.291
1Identification
【Name】
JTE 013
【CAS】
【MDL】
MFCD09878275
【English Synonyms】
【Formula】
C17 H19 Cl2 N7 O
【MolWeight】
408.291
【Inchi】
InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27)
【InChIKey】
InChIKey=RNSLRQNDXRSASX-UHFFFAOYSA-N
【SMILES】
Cc1c2c(cc(nc2n(n1)C)NNC(=O)Nc3cc(nc(c3)Cl)Cl)C(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
JTE 013.cml
Quick Release
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