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Basic information
- Standard SMILES
Cc1ccc(C(=S)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OC[C@H](C)CNC(=O)OC(C)(C)C)c1- InChIKey
FNVIIXHDUDAEIZ-GOSISDBHSA-N- Molecular formula
- C28H32ClN5O4S
- Average molar mass
- 570.1 g/mol
- Monoisotopic mass
- 569.1863534
Names & identifiers
- Preferred name
- 3-[2-[(2R)-3-(t-Butoxycarbonylamino)-2-methylpropoxy]-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide
- IUPAC
- tert-butyl N-[(2R)-3-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]carbamothioyl]-5-methylphenoxy]-2-methylpropyl]carbamate
Names & synonyms
SCHEMBL4276022FNVIIXHDUDAEIZ-GOSISDBHSA-N3-[2-[(2R)-3-(t-Butoxycarbonylamino)-2-methylpropoxy]-4-methylthiobenzoylamino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 86620006
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 828
Related reactions
1 records
Compound notes
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