769153-69-7
1-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
Name1-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
1Identification
【Name】
1-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153394
【English Synonyms】
【Formula】
C28 H23 N3 O4
【MolWeight】
465.507
【Inchi】
InChI=1S/C28H23N3O4/c1-18-7-11-21(12-8-18)28(34)35-25-16-13-20-5-3-4-6-23(20)24(25)17-29-31-27(33)26(32)30-22-14-9-19(2)10-15-22/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+
【InChIKey】
InChIKey=OXXRGEGPGHIGSE-STBIYBPSSA-N
【SMILES】
Cc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc4ccc(cc4)C
【MOL File】
1-(2-(OXO(4-TOLUIDIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE.cml