Basic information
- Standard SMILES
CC(C)(C)C(=O)OCn1cc(-c2cc(C(N)=O)c(Nc3cccc(CN4CCOCC4)n3)s2)nn1- InChIKey
QCARBOWLQOHJCB-UHFFFAOYSA-N- Molecular formula
- C23H29N7O4S
- Average molar mass
- 499.6 g/mol
Names & identifiers
- Preferred name
- [4-(4-(Aminocarbonyl)-5-{[6-(morpholin-4-ylmethyl)pyridin-2-yl]amino}-2-thienyl)-1H-1,2,3-triazol-1-yl]methyl pivalate
- IUPAC
- [4-[4-carbamoyl-5-[[6-(morpholin-4-ylmethyl)-2-pyridinyl]amino]thiophen-2-yl]triazol-1-yl]methyl 2,2-dimethylpropanoate
Names & synonyms
SCHEMBL3508315QCARBOWLQOHJCB-UHFFFAOYSA-N[4-(4-(Aminocarbonyl)-5-{[6-(morpholin-4-ylmethyl)pyridin-2-yl]amino}-2-thienyl)-1H-1,2,3-triazol-1-yl]methyl pivalate
Database identifiers
- PubChem CID
- 59525795
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 733
Related reactions
3 records
Compound notes
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