1149705-71-4
XL-888
Name
XL-888
Formula
C29 H37 N5 O3
MolWeight
503.643
1Identification
【Name】
XL-888
【CAS】
【MDL】
MFCD22124888
【English Synonyms】
【Formula】
C29 H37 N5 O3
【MolWeight】
503.643
【Inchi】
InChI=1S/C29H37N5O3/c1-4-17(3)32-25-14-23(16(2)11-24(25)28(30)36)29(37)33-20-12-21-8-9-22(13-20)34(21)26-10-7-19(15-31-26)27(35)18-5-6-18/h7,10-11,14-15,17-18,20-22,32H,4-6,8-9,12-13H2,1-3H3,(H2,30,36)(H,33,37)/t17-,20-,21-,22+/m1/s1
【InChIKey】
InChIKey=LHGWWAFKVCIILM-CIQXWFTPSA-N
【SMILES】
CC[C@@H](C)Nc1cc(c(cc1C(=O)N)C)C(=O)N[C@H]2C[C@@H]3CC[C@H](C2)N3c4ccc(cn4)C(=O)C5CC5
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
XL-888.cml
Quick Release
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Business Type:Lab/Research institutions
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