1-(2-Morpholin-4-ylethyl)-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)urea
Basic information
- CAS
83935-71-1- Standard SMILES
O=C(NCCN1CCOCC1)Nc1ccc2c(c1)OCCOCCOCCOCCO2- InChIKey
FOHIMNSCQPDOOQ-UHFFFAOYSA-N- Molecular formula
- C21H33N3O7
- Average molar mass
- 439.5 g/mol
- Monoisotopic mass
- 439.2318504
Names & identifiers
- Preferred name
- 1-(2-Morpholin-4-ylethyl)-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)urea
- IUPAC
- 1-(2-morpholin-4-ylethyl)-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)urea
Names & synonyms
83935-71-1NSC3660671-(2-morpholin-4-ylethyl)-3-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)ureaDTXSID30320884NSC-366067N-[2-(Morpholin-4-yl)ethyl]-N'-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)urea
Database identifiers
- CAS
83935-71-1- PubChem CID
- 339405
- DTXSID
DTXSID30320884
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 494
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Compound notes
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