111897-72-4
1-(5-(3,4-DIMETHOXYPHENYL)TETRAZOL-2-YLACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE
Name1-(5-(3,4-DIMETHOXYPHENYL)TETRAZOL-2-YLACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE
1Identification
【Name】
1-(5-(3,4-DIMETHOXYPHENYL)TETRAZOL-2-YLACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE
【CAS】
【MDL】
MFCD01682622
【English Synonyms】
【Formula】
C19 H21 N7 O4 S
【MolWeight】
443.486
【Inchi】
InChI=1S/C19H21N7O4S/c1-28-14-7-5-13(6-8-14)20-19(31)23-21-17(27)11-26-24-18(22-25-26)12-4-9-15(29-2)16(10-12)30-3/h4-10H,11H2,1-3H3,(H,21,27)(H2,20,23,31)
【InChIKey】
InChIKey=ALOQCBUDJNZJIR-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)NC(=S)NNC(=O)Cn2nc(nn2)c3ccc(c(c3)OC)OC
【MOL File】
1-(5-(3,4-DIMETHOXYP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(5-(3,4-DIMETHOXYPHENYL)TETRAZOL-2-YLACETYL)-4-(4-METHOXYPHENYL)THIOSEMICARBAZIDE.cml