767339-16-2
2-MEO-4-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE
Name2-MEO-4-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE
1Identification
【Name】
2-MEO-4-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE
【CAS】
【MDL】
MFCD05152350
【English Synonyms】
【Formula】
C32 H45 N3 O5
【MolWeight】
551.724
【Inchi】
InChI=1S/C32H45N3O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-30(36)33-24-31(37)35-34-23-26-18-21-28(29(22-26)39-3)40-32(38)27-19-16-25(2)17-20-27/h16-23H,4-15,24H2,1-3H3,(H,33,36)(H,35,37)/b34-23+
【InChIKey】
InChIKey=VFDXNSRBXPVRAM-PPFNPFNJSA-N
【SMILES】
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(c(c1)OC)OC(=O)c2ccc(cc2)C
【MOL File】
2-MEO-4-(2-((TETRADE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-MEO-4-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE.cml