Basic information
- Standard SMILES
CCCCNc1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1- InChIKey
AMWDPMXEQXTBSF-UHFFFAOYSA-N- Molecular formula
- C16H22N6O5S
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.137239
Names & identifiers
- Preferred name
- N-(3-n-butylaminopyridin-2-ylsulfonyl)-N'-(4,6-dimethoxypyrimidin-2-yl)urea
- IUPAC
- 1-[[3-(butylamino)-2-pyridinyl]sulfonyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea
Names & synonyms
SCHEMBL9020898AMWDPMXEQXTBSF-UHFFFAOYSA-NN-(3-n-butylaminopyridin-2-ylsulfonyl)-N'-(4,6-dimethoxypyrimidin-2-yl)urea
Database identifiers
- PubChem CID
- 19009965
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 575
Related reactions
2 records
Compound notes
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