765912-90-1
1-(2-(((3-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATE
Name1-(2-(((3-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATE
1Identification
【Name】
1-(2-(((3-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154556
【English Synonyms】
【Formula】
C30 H27 N3 O5
【MolWeight】
509.559
【Inchi】
InChI=1S/C30H27N3O5/c1-3-37-24-14-11-22(12-15-24)30(36)38-27-16-13-21-8-4-5-10-25(21)26(27)18-32-33-28(34)19-31-29(35)23-9-6-7-20(2)17-23/h4-18H,3,19H2,1-2H3,(H,31,35)(H,33,34)/b32-18+
【InChIKey】
InChIKey=QLQRWPUYAJWMSG-KCSSXMTESA-N
【SMILES】
CCOc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c4cccc(c4)C
【MOL File】
1-(2-(((3-METHYLBENZ….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(((3-METHYLBENZOYL)AMINO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-ETHOXYBENZOATE.cml