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Basic information
- Standard SMILES
Cc1ccc(C(=S)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCC2CCN(C(=O)OC(C)(C)C)C2)c1- InChIKey
OCSUZRWDEBMDRZ-UHFFFAOYSA-N- Molecular formula
- C29H32ClN5O4S
- Average molar mass
- 582.1 g/mol
- Monoisotopic mass
- 581.1863534
Names & identifiers
- Preferred name
- 3-[2-(1-t-Butoxycarbonylpyrrolidin-3-ylmethoxy)-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide
- IUPAC
- tert-butyl 3-[[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]carbamothioyl]-5-methylphenoxy]methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL4274204OCSUZRWDEBMDRZ-UHFFFAOYSA-N3-[2-(1-t-Butoxycarbonylpyrrolidin-3-ylmethoxy)-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 86620007
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 889
Related reactions
3 records
Compound notes
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