Basic information
- Standard SMILES
CCOC(=O)N=S(=O)(c1ccc(Nc2ncc(-c3cccs3)c(N[C@H](C)CO)n2)cc1)C1CC1- InChIKey
FNOSJPROYJHQOT-FMGWZVQMSA-N- Molecular formula
- C23H27N5O4S2
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 501.15044671
Names & identifiers
- Preferred name
- (RS)-N-(ethoxycarbonyl)-S-(4-{[4-{[(R)-2-hydroxy-1-methylethyl]amino}-5-(2-thienyl)pyrimidine-2-yl]amino}phenyl)-S-cyclopropylsulfoximide
- IUPAC
- ethyl N-[cyclopropyl-[4-[[4-[[(2R)-1-hydroxypropan-2-yl]amino]-5-thiophen-2-ylpyrimidin-2-yl]amino]phenyl]-oxo-lambda6-sulfanylidene]carbamate
Names & synonyms
SCHEMBL2816560FNOSJPROYJHQOT-FMGWZVQMSA-N(RS)-N-(ethoxycarbonyl)-S-(4-{[4-{[(R)-2-hydroxy-1-methylethyl]amino}-5-(2-thienyl)pyrimidine-2-yl]amino}phenyl)-S-cyclopropylsulfoximide
Database identifiers
- PubChem CID
- 86615480
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 796
Related reactions
1 records
Compound notes
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