299207-78-6
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N'-1H-INDOL-5-YL-THIOUREA
NameN-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N'-1H-INDOL-5-YL-THIOUREA
1Identification
【Name】
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N'-1H-INDOL-5-YL-THIOUREA
【CAS】
【MDL】
MFCD00278603
【English Synonyms】
【Formula】
C17 H15 N3 O2 S
【MolWeight】
325.391
【Inchi】
InChI=1S/C17H15N3O2S/c23-17(19-12-1-3-14-11(9-12)5-6-18-14)20-13-2-4-15-16(10-13)22-8-7-21-15/h1-6,9-10,18H,7-8H2,(H2,19,20,23)
【InChIKey】
InChIKey=OHBNCZCEIRFRIH-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc[nH]2)cc1NC(=S)Nc3ccc4c(c3)OCCO4
【MOL File】
N-(2,3-DIHYDRO-1,4-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N'-1H-INDOL-5-YL-THIOUREA.cml