765298-27-9
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE
Name4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE
FormulaC32 H41 Cl N2 O3 S
1Identification
【Name】
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE
【CAS】
【MDL】
MFCD06199682
【English Synonyms】
【Formula】
C32 H41 Cl N2 O3 S
【MolWeight】
569.206
【Inchi】
InChI=1S/C32H41ClN2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(36)35-34-24-25-20-22-26(23-21-25)38-32(37)31-30(33)27-17-15-16-18-28(27)39-31/h15-18,20-24H,2-14,19H2,1H3,(H,35,36)/b34-24+
【InChIKey】
InChIKey=OGFYICSTZSVSAW-JGRMKTMXSA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)N/N=C/c1ccc(cc1)OC(=O)c2c(c3ccccc3s2)Cl
【MOL File】
4-(2-PALMITOYLCARBOH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-PALMITOYLCARBOHYDRAZONOYL)PHENYL 3-CHLORO-1-BENZOTHIOPHENE-2-CARBOXYLATE.cml