764655-51-8
1-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
Name1-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
1-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154651
【English Synonyms】
【Formula】
C23 H23 N3 O4 S
【MolWeight】
437.518
【Inchi】
InChI=1S/C23H23N3O4S/c1-4-24-23(31)26-25-14-18-17-8-6-5-7-15(17)9-11-19(18)30-22(27)16-10-12-20(28-2)21(13-16)29-3/h5-14H,4H2,1-3H3,(H2,24,26,31)/b25-14+
【InChIKey】
InChIKey=KFECDWJTFDFDCP-AFUMVMLFSA-N
【SMILES】
CCNC(=S)N/N=C/c1c2ccccc2ccc1OC(=O)c3ccc(c(c3)OC)OC
【MOL File】
1-(2-((ETHYLAMINO)CA….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
1-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3,4-DIMETHOXYBENZOATE.cml