767335-77-3
1-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
Name1-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
1-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154323
【English Synonyms】
【Formula】
C28 H23 N3 O6
【MolWeight】
497.505
【Inchi】
InChI=1S/C28H23N3O6/c1-35-24-15-13-19(16-25(24)36-2)28(34)37-23-14-12-18-8-6-7-11-21(18)22(23)17-29-31-27(33)26(32)30-20-9-4-3-5-10-20/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+
【InChIKey】
InChIKey=JBOYHGVGQZRRSW-STBIYBPSSA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc4ccccc4
【MOL File】
1-(2-(ANILINO(OXO)AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE.cml