N-{2-[2-(2-{[(3-Iodoanilino)carbonyl]amino}ethoxy)ethoxy]ethyl}-N'-(3-iodophenyl)urea
Basic information
- CAS
325854-68-0- Standard SMILES
O=C(NCCOCCOCCNC(=O)Nc1cccc(I)c1)Nc1cccc(I)c1- InChIKey
JVPBTJMERBLCBJ-UHFFFAOYSA-N- Molecular formula
- C20H24I2N4O4
- Average molar mass
- 638.2 g/mol
- Monoisotopic mass
- 637.9887
Names & identifiers
- Preferred name
- N-{2-[2-(2-{[(3-Iodoanilino)carbonyl]amino}ethoxy)ethoxy]ethyl}-N'-(3-iodophenyl)urea
- IUPAC
- 1-(3-iodophenyl)-3-[2-[2-[2-[(3-iodophenyl)carbamoylamino]ethoxy]ethoxy]ethyl]urea
- English name
- N-{2-[2-(2-{[(3-Iodoanilino)carbonyl]amino}ethoxy)ethoxy]ethyl}-N'-(3-iodophenyl)urea
- Molecular formula
- C20H24I2N4O4
- Molecular weight
- 638.24
Names & synonyms
AKOS003630360N-{2-[2-(2-{[(3-IODOANILINO)CARBONYL]AMINO}ETHOXY)ETHOXY]ETHYL}-N'-(3-IODOPHENYL)UREA5,8-Dioxa-2,11-diazadodecanediamide, N1,N12-bis(3-iodophenyl)-
Database identifiers
- CAS
325854-68-0- PubChem CID
- 4230596
- EC Number
- 159-027-2
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- Boiling point
- 634.191 · 634.191±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.788 · 1.788±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.855 · 12.855±0.46(predicted)
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Compound notes
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