NSC305938

1,1',5,5'-tetrakis(benzenesulfonyl)-3,3'-spirobi[2,4-dihydro-1,5-benzodiazepine]

Also Known As: 3,3'-Spirobi(3H-1,5-benzodiazepine), 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-|1,1',5,5'-tetrakis(benzenesulfonyl)-3,3'-spirobi[2,4-dihydro-1,5-benzodiazepine]|1,1',5,5'-tetrakis(benzenesulfonyl)-3,3'-spirobi[2,4-dihydro|1,1',2,2',4,4',5,5'-Octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-3,3'-spirobi[3H-1,5-benzodiazepine]|1,1',5,5'-Tetra(benzenesulfonyl)-1,1',2,2',4,4',5,5'-octahydro-3,3'-spirobi[[1,5]benzodiazepine]|3,3'-Spirobi[3H-1,5-benzodiazepine], 1,1',2,2',4,4',5,5'-octahydro-1,1',5,5'-tetrakis(phenylsulfonyl)-

Molecular Formula	C41H36N4O8S4
Molecular Weight	840.1416 g/mol
LogP	6.1
Topological Polar Surface Area	183.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	12
Rotatable Bonds	8
Exact Mass	840.1416
Monoisotopic Mass	840.1416
Heavy Atoms	57
Complexity	1540.0

Chemical Identifiers

CAS Number	89754-96-1
SMILES	C1C2(CN(C3=CC=CC=C3N1S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)CN(C6=CC=CC=C6N(C2)S(=O)(=O)C7=CC=CC=C7)S(=O)(=O)C8=CC=CC=C8
InChIKey	FXKPUKOPBVPOBM-UHFFFAOYSA-N