79089-72-8
4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE-3-CARBOXYLIC ACID, 8-FLUORO-5,6-DIHYDRO-6-OXO-, ETHYL ESTER
Name4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE-3-CARBOXYLIC ACID, 8-FLUORO-5,6-DIHYDRO-6-OXO-, ETHYL ESTER
1Identification
【Name】
4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE-3-CARBOXYLIC ACID, 8-FLUORO-5,6-DIHYDRO-6-OXO-, ETHYL ESTER
【CAS】
【MDL】
MFCD02179382
【English Synonyms】
【Formula】
C14 H12 F N3 O3
【MolWeight】
289.265
【Inchi】
InChI=1S/C14H12FN3O3/c1-2-21-14(20)12-11-6-16-13(19)9-5-8(15)3-4-10(9)18(11)7-17-12/h3-5,7H,2,6H2,1H3,(H,16,19)
【InChIKey】
InChIKey=VZVRAZNHBCFAMI-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)NC2)F
【MOL File】
4H-IMIDAZO[1,5-A][1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4H-IMIDAZO[1,5-A][1,4]BENZODIAZEPINE-3-CARBOXYLIC ACID, 8-FLUORO-5,6-DIHYDRO-6-OXO-, ETHYL ESTER.cml