1-(2-Hydroxyethyl)-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)urea
Basic information
- CAS
83935-73-3- Standard SMILES
O=C(NCCO)Nc1ccc2c(c1)OCCOCCOCCOCCO2- InChIKey
VMSQRDIHEKUEJR-UHFFFAOYSA-N- Molecular formula
- C17H26N2O7
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.17400117
Names & identifiers
- Preferred name
- 1-(2-Hydroxyethyl)-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)urea
- IUPAC
- 1-(2-hydroxyethyl)-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)urea
Names & synonyms
83935-73-3NSC3660681-(2-hydroxyethyl)-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ureaDTXSID90320885NSC-366068N-(2-Hydroxyethyl)-N'-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea
Database identifiers
- CAS
83935-73-3- PubChem CID
- 339406
- DTXSID
DTXSID90320885
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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