N-(4-azido-3-iodophenethyl)spiperone

3-[2-(4-azido-3-(125I)iodophenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Also Known As: I-N3-Naps|N-(4-Azido-3-iodophenethyl)spiperone|N-(4-Azido-3-iodophenethyl)spiroperidol|1,3,8-Triazaspiro(4.5)decan-4-one, 3-(2-(4-azido-3-(iodo-125I)phenyl)ethyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-, (6R-(3(1S*,2R*),6alpha,7beta(R*)))-|3-[2-(4-azido-3-(125I)iodanylphenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one|2-[2-(4-azido-3-iodanylphenyl)ethyl]-8-[4-(4-fluorophenyl)-4-oxobutyl]-4-phenyl-2,4,8-triazaspiro[4.5]decan-1-one|3-{2-[4-Azido-3-(~125~I)iodophenyl]ethyl}-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

Molecular Formula	C31H32FIN6O2
Molecular Weight	664.1617 g/mol
LogP	7.1
Topological Polar Surface Area	58.2 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	10
Exact Mass	664.1617
Monoisotopic Mass	664.1617
Heavy Atoms	41
Complexity	941.0

Chemical Identifiers

CAS Number	95754-28-2
SMILES	C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CCC4=CC(=C(C=C4)N=[N+]=[N-])[125I])CCCC(=O)C5=CC=C(C=C5)F
InChIKey	FGEADKYCRHPWJF-DSNWZYGKSA-N