AC1NQ4ZR

1-(1-adamantyl)-3-[[3-[3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea

Also Known As: DIOX2_002874|N-[(3'-{4-[(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]-N'-tricyclo[3.3.1.1~3,7~]decan-1-ylurea|1-(1-adamantyl)-3-[[3-[3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl]phenyl]phenyl]methyl]urea|N-(Adamantan-1-yl)-N'-[(3'-{4-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-dioxan-2-yl}[1,1'-biphenyl]-3-yl)methyl]urea

Molecular Formula	C44H55N3O6
Molecular Weight	721.40906 g/mol
LogP	7.2442
Topological Polar Surface Area	101.52 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	721.40906
Monoisotopic Mass	721.40906
Heavy Atoms	53
Complexity	1712.4282

Chemical Identifiers

CAS Number	6088-92-2
SMILES	CC1C(OC(OC1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)NC56CC7CC(C5)CC(C7)C6)CN8CCC9(CC8)OCCO9