769154-06-5
4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
Name4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
1Identification
【Name】
4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153358
【English Synonyms】
【Formula】
C29 H38 Cl N3 O5
【MolWeight】
544.088
【Inchi】
InChI=1S/C29H38ClN3O5/c1-3-4-5-6-7-8-9-10-11-16-27(34)31-21-28(35)33-32-20-22-17-18-25(26(19-22)37-2)38-29(36)23-14-12-13-15-24(23)30/h12-15,17-20H,3-11,16,21H2,1-2H3,(H,31,34)(H,33,35)/b32-20+
【InChIKey】
InChIKey=FLPGYTHFLZBDTI-UZWMFBFFSA-N
【SMILES】
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(c(c1)OC)OC(=O)c2ccccc2Cl
【MOL File】
4-(2-((DODECANOYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE.cml