5084-13-9
1-HYDROXY-4-(1-PH-1H-TETRAZOL-5-YLTHIO)-N-(2-TETRADECYLOXYPHENYL)-2-NAPHTHAMID
Name1-HYDROXY-4-(1-PH-1H-TETRAZOL-5-YLTHIO)-N-(2-TETRADECYLOXYPHENYL)-2-NAPHTHAMID
1Identification
【Name】
1-HYDROXY-4-(1-PH-1H-TETRAZOL-5-YLTHIO)-N-(2-TETRADECYLOXYPHENYL)-2-NAPHTHAMID
【CAS】
【MDL】
MFCD00185930
【English Synonyms】
【Formula】
C38 H45 N5 O3 S
【MolWeight】
651.872
【Inchi】
InChI=1S/C38H45N5O3S/c1-2-3-4-5-6-7-8-9-10-11-12-20-27-46-34-26-19-18-25-33(34)39-37(45)32-28-35(30-23-16-17-24-31(30)36(32)44)47-38-40-41-42-43(38)29-21-14-13-15-22-29/h13-19,21-26,28,44H,2-12,20,27H2,1H3,(H,39,45)
【InChIKey】
InChIKey=RQJVRTHWJHBYOM-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCCCCCCOc1ccccc1NC(=O)c2cc(c3ccccc3c2O)Sc4nnnn4c5ccccc5
【MOL File】
1-HYDROXY-4-(1-PH-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-HYDROXY-4-(1-PH-1H-TETRAZOL-5-YLTHIO)-N-(2-TETRADECYLOXYPHENYL)-2-NAPHTHAMID.cml