578745-12-7
2-[[4-ALLYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(9-ETHYL-9H-CARBAZOL-3-YL)ACETAMIDE
Name2-[[4-ALLYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(9-ETHYL-9H-CARBAZOL-3-YL)ACETAMIDE
1Identification
【Name】
2-[[4-ALLYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(9-ETHYL-9H-CARBAZOL-3-YL)ACETAMIDE
【CAS】
【MDL】
MFCD04024465
【English Synonyms】
【Formula】
C25 H23 N5 O2 S
【MolWeight】
457.556
【Inchi】
InChI=1S/C25H23N5O2S/c1-3-13-30-24(22-10-7-14-32-22)27-28-25(30)33-16-23(31)26-17-11-12-21-19(15-17)18-8-5-6-9-20(18)29(21)4-2/h3,5-12,14-15H,1,4,13,16H2,2H3,(H,26,31)
【InChIKey】
InChIKey=OQLIVAOQCHYGLH-UHFFFAOYSA-N
【SMILES】
CCn1c2ccccc2c3c1ccc(c3)NC(=O)CSc4nnc(n4CC=C)c5ccco5
【MOL File】
2-[[4-ALLYL-5-(2-FUR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ALLYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(9-ETHYL-9H-CARBAZOL-3-YL)ACETAMIDE.cml