Basic information
- Standard SMILES
CCCCOC(=O)N=C(N)c1ccc(OCCCC2CCN(CCCOc3ccc(C(N)=NC(=O)OCCCC)cc3)CC2)cc1- InChIKey
DAIADFNENUPDES-UHFFFAOYSA-N- Molecular formula
- C35H51N5O6
- Average molar mass
- 637.8 g/mol
Names & identifiers
- Preferred name
- 4-{3-[4-(3-{4-[amino(butoxycarbonylimino)methyl]phenoxy}propyl)-1-piperidinyl]propoxy}-N'-(butoxycarbonyl)benzamidine
- IUPAC
- butyl N-[amino-[4-[3-[1-[3-[4-(N'-butoxycarbonylcarbamimidoyl)phenoxy]propyl]piperidin-4-yl]propoxy]phenyl]methylidene]carbamate
Names & synonyms
DAIADFNENUPDES-UHFFFAOYSA-N4-{3-[4-(3-{4-[amino(butoxycarbonylimino)methyl]phenoxy}propyl)-1-piperidinyl]propoxy}-N'-(butoxycarbonyl)benzamidine
Database identifiers
- PubChem CID
- 66919965
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 20
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 922
Related reactions
1 records
Compound notes
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