1207362-38-6
BENZYL 2,4-DICHLORO-8,9-DIHYDRO-5H-PYRIMIDO-[4,5-D]AZEPINE-7(6H)-CARBOXYLATE
NameBENZYL 2,4-DICHLORO-8,9-DIHYDRO-5H-PYRIMIDO-[4,5-D]AZEPINE-7(6H)-CARBOXYLATE
1Identification
【Name】
BENZYL 2,4-DICHLORO-8,9-DIHYDRO-5H-PYRIMIDO-[4,5-D]AZEPINE-7(6H)-CARBOXYLATE
【CAS】
【MDL】
MFCD17011871
【English Synonyms】
【Formula】
C16 H15 Cl2 N3 O2
【MolWeight】
352.22
【Inchi】
InChI=1S/C16H15Cl2N3O2/c17-14-12-6-8-21(9-7-13(12)19-15(18)20-14)16(22)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2
【InChIKey】
InChIKey=ISQBQGSKOWIRSS-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)COC(=O)N2CCc3c(nc(nc3Cl)Cl)CC2
【MOL File】
BENZYL 2,4-DICHLORO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
BENZYL 2,4-DICHLORO-8,9-DIHYDRO-5H-PYRIMIDO-[4,5-D]AZEPINE-7(6H)-CARBOXYLATE.cml