767330-74-5
3-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name3-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
1Identification
【Name】
3-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD06199715
【English Synonyms】
【Formula】
C28 H35 Cl2 N3 O4
【MolWeight】
548.508
【Inchi】
InChI=1S/C28H35Cl2N3O4/c1-2-3-4-5-6-7-8-9-10-14-26(34)31-20-27(35)33-32-19-21-12-11-13-23(17-21)37-28(36)24-16-15-22(29)18-25(24)30/h11-13,15-19H,2-10,14,20H2,1H3,(H,31,34)(H,33,35)/b32-19+
【InChIKey】
InChIKey=PWSFUYGPFUGXBF-BIZUNTBRSA-N
【SMILES】
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(c1)OC(=O)c2ccc(cc2Cl)Cl
【MOL File】
3-(2-((DODECANOYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-((DODECANOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml