163250-90-6
ORBOFIBAN
Name
ORBOFIBAN
Formula
C17 H23 N5 O4
MolWeight
361.4
1Identification
【Name】
ORBOFIBAN
【CAS】
【MDL】
MFCD11040793
【English Synonyms】
【Formula】
C17 H23 N5 O4
【MolWeight】
361.4
【Inchi】
InChI=1S/C17H23N5O4/c1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19/h3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25)/t13-/m0/s1
【InChIKey】
InChIKey=VJDOPFARMOLELX-ZDUSSCGKSA-N
【SMILES】
CCOC(=O)CCNC(=O)N[C@H]1CCN(C1=O)c2ccc(cc2)C(=N)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:9
XLogP3:-4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ORBOFIBAN.cml
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