Xli 093 hydrate

3-(8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Also Known As: Xli 093 hydrate|Xli 093|XLi093, 2|NCGC00162070-01|NCGC00162070-02|3-(8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carbonyl)oxypropyl 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate|3-({12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaen-5-yl}carbonyloxy)propyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate|Bis[8-ethynyl-5,6-dihydro-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid] 1,3-propanediyl ester hydrate|Propane-1,3-diyl bis(8-ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate)|Propane-1,3-diyl bis(8-ethynyl-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate)

Molecular Formula	C33H26N6O6
Molecular Weight	602.1914 g/mol
LogP	2.5957
Topological Polar Surface Area	128.86 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	602.1914
Monoisotopic Mass	602.1914
Heavy Atoms	45
Complexity	1849.006

Chemical Identifiers

CAS Number	7237-96-9
SMILES	CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)C#C)C(=O)OCCCOC(=O)C4=C5CN(C(=O)C6=C(N5C=N4)C=CC(=C6)C#C)C