952229-05-9
8-(4-IODOBUTOXY)-4,5-DIHYDRO-1H-PYRIDO[2,3-D][1,3]DIAZEPIN-2(3H)-ONE
Name8-(4-IODOBUTOXY)-4,5-DIHYDRO-1H-PYRIDO[2,3-D][1,3]DIAZEPIN-2(3H)-ONE
1Identification
【Name】
8-(4-IODOBUTOXY)-4,5-DIHYDRO-1H-PYRIDO[2,3-D][1,3]DIAZEPIN-2(3H)-ONE
【CAS】
【MDL】
MFCD12400918
【English Synonyms】
【Formula】
C12 H16 I N3 O2
【MolWeight】
361.177
【Inchi】
InChI=1S/C12H16IN3O2/c13-6-1-2-8-18-10-4-3-9-5-7-14-12(17)16-11(9)15-10/h3-4H,1-2,5-8H2,(H2,14,15,16,17)
【InChIKey】
InChIKey=STTIOYIZPCSAPP-UHFFFAOYSA-N
【SMILES】
c1cc(nc2c1CCNC(=O)N2)OCCCCI
【MOL File】
8-(4-IODOBUTOXY)-4,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
8-(4-IODOBUTOXY)-4,5-DIHYDRO-1H-PYRIDO[2,3-D][1,3]DIAZEPIN-2(3H)-ONE.cml