769154-13-4
4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
Name4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
1Identification
【Name】
4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153351
【English Synonyms】
【Formula】
C27 H34 Cl N3 O5
【MolWeight】
516.035
【Inchi】
InChI=1S/C27H34ClN3O5/c1-3-4-5-6-7-8-9-14-25(32)29-19-26(33)31-30-18-20-15-16-23(24(17-20)35-2)36-27(34)21-12-10-11-13-22(21)28/h10-13,15-18H,3-9,14,19H2,1-2H3,(H,29,32)(H,31,33)/b30-18+
【InChIKey】
InChIKey=BWZWISULDGKKKM-UXHLAJHPSA-N
【SMILES】
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(c(c1)OC)OC(=O)c2ccccc2Cl
【MOL File】
4-(2-((DECANOYLAMINO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((DECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 2-CHLOROBENZOATE.cml