Basic information
- Standard SMILES
C=C(C)OC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)C(C)(C)C)nc2)ccn1- InChIKey
VCLPLXCDHLVUAF-UHFFFAOYSA-N- Molecular formula
- C20H23N5O5
- Average molar mass
- 413.4 g/mol
Names & identifiers
- Preferred name
- Prop-1-en-2-yl (4-((6-(3-pivaloylureido)pyridin-3-yl)oxy)pyridin-2-yl)carbamate
- IUPAC
- prop-1-en-2-yl N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]carbamate
Names & synonyms
SCHEMBL16081697VCLPLXCDHLVUAF-UHFFFAOYSA-Nprop-1-en-2-yl (4-((6-(3-pivaloylureido)pyridin-3-yl)oxy)pyridin-2-yl)carbamate
Database identifiers
- PubChem CID
- 90445670
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 648
Related reactions
11 records
Compound notes
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