764657-14-9
2-ETHOXY-4-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
Name2-ETHOXY-4-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
1Identification
【Name】
2-ETHOXY-4-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE
【CAS】
【MDL】
MFCD05154491
【English Synonyms】
【Formula】
C22 H27 N3 O4 S
【MolWeight】
429.538
【Inchi】
InChI=1S/C22H27N3O4S/c1-4-13-28-18-10-8-17(9-11-18)21(26)29-19-12-7-16(14-20(19)27-6-3)15-24-25-22(30)23-5-2/h7-12,14-15H,4-6,13H2,1-3H3,(H2,23,25,30)/b24-15+
【InChIKey】
InChIKey=UXCWLSRKHBIRQE-BUVRLJJBSA-N
【SMILES】
CCCOc1ccc(cc1)C(=O)Oc2ccc(cc2OCC)/C=N/NC(=S)NCC
【MOL File】
2-ETHOXY-4-(2-((ETHY….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
2-ETHOXY-4-(2-((ETHYLAMINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 4-PROPOXYBENZOATE.cml