767320-27-4
2-MEO-4-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
Name2-MEO-4-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
1Identification
【Name】
2-MEO-4-(2-((TETRADECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-BROMOBENZOATE
【CAS】
【MDL】
MFCD05154477
【English Synonyms】
【Formula】
C31 H42 Br N3 O5
【MolWeight】
616.593
【Inchi】
InChI=1S/C31H42BrN3O5/c1-3-4-5-6-7-8-9-10-11-12-13-17-29(36)33-23-30(37)35-34-22-24-18-19-27(28(20-24)39-2)40-31(38)25-15-14-16-26(32)21-25/h14-16,18-22H,3-13,17,23H2,1-2H3,(H,33,36)(H,35,37)/b34-22+
【InChIKey】
InChIKey=KGBRBGLYHZVGQK-PPOKSSTKSA-N
【SMILES】
CCCCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(c(c1)OC)OC(=O)c2cccc(c2)Br
【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 3-BROMOBENZOATE.cml