769153-86-8
2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
Name2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
1Identification
【Name】
2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05153374
【English Synonyms】
【Formula】
C27 H20 Cl N3 O4
【MolWeight】
485.925
【Inchi】
InChI=1S/C27H20ClN3O4/c28-21-14-12-19(13-15-21)27(34)35-24-11-4-2-7-20(24)16-30-31-25(32)17-29-26(33)23-10-5-8-18-6-1-3-9-22(18)23/h1-16H,17H2,(H,29,33)(H,31,32)/b30-16+
【InChIKey】
InChIKey=KVTUQNFDJWIMRZ-OKCVXOCRSA-N
【SMILES】
c1ccc2c(c1)cccc2C(=O)NCC(=O)N/N=C/c3ccccc3OC(=O)c4ccc(cc4)Cl
【MOL File】
2-(2-((1-NAPHTHOYLAM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-((1-NAPHTHOYLAMINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-CHLOROBENZOATE.cml