518349-77-4
N-(3-((BENZYLAMINO)CARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)-2-FURAMIDE
NameN-(3-((BENZYLAMINO)CARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)-2-FURAMIDE
1Identification
【Name】
N-(3-((BENZYLAMINO)CARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)-2-FURAMIDE
【CAS】
【MDL】
MFCD03461507
【English Synonyms】
【Formula】
C21 H20 N2 O3 S
【MolWeight】
380.466
【Inchi】
InChI=1S/C21H20N2O3S/c24-19(16-10-6-12-26-16)23-21-18(15-9-4-5-11-17(15)27-21)20(25)22-13-14-7-2-1-3-8-14/h1-3,6-8,10,12H,4-5,9,11,13H2,(H,22,25)(H,23,24)
【InChIKey】
InChIKey=HCFOTBLLTMIUTO-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CNC(=O)c2c3c(sc2NC(=O)c4ccco4)CCCC3
【MOL File】
N-(3-((BENZYLAMINO)C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-((BENZYLAMINO)CARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL)-2-FURAMIDE.cml