5473-24-5
N-(4-CHLORO-2-METHYL-PHENYL)-N-(1-NAPHTHALEN-2-YLETHYLIDENEAMINO)BUTANEDIAMIDE
NameN-(4-CHLORO-2-METHYL-PHENYL)-N-(1-NAPHTHALEN-2-YLETHYLIDENEAMINO)BUTANEDIAMIDE
1Identification
【Name】
N-(4-CHLORO-2-METHYL-PHENYL)-N-(1-NAPHTHALEN-2-YLETHYLIDENEAMINO)BUTANEDIAMIDE
【CAS】
【MDL】
MFCD19707249
【English Synonyms】
【Formula】
C23 H22 Cl N3 O2
【MolWeight】
407.899
【Inchi】
InChI=1S/C23H22ClN3O2/c1-15-13-20(24)9-10-21(15)27(23(29)12-11-22(25)28)26-16(2)18-8-7-17-5-3-4-6-19(17)14-18/h3-10,13-14H,11-12H2,1-2H3,(H2,25,28)/b26-16+
【InChIKey】
InChIKey=XVZNNIDFKHSGRK-WGOQTCKBSA-N
【SMILES】
Cc1cc(ccc1N(C(=O)CCC(=O)N)/N=C(\C)/c2ccc3ccccc3c2)Cl
【MOL File】
N-(4-CHLORO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-CHLORO-2-METHYL-PHENYL)-N-(1-NAPHTHALEN-2-YLETHYLIDENEAMINO)BUTANEDIAMIDE.cml