Basic information
- Standard SMILES
COC(=O)c1c(NCc2ccc(OC)c(Cl)c2)nc(S(C)=O)nc1N1CCC(O)CC1- InChIKey
MTVJTXAKONWTTD-UHFFFAOYSA-N- Molecular formula
- C20H25ClN4O5S
- Average molar mass
- 469 g/mol
Names & identifiers
- Preferred name
- 4-(3-Chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-(4-hydroxypiperidin-1-yl)-2-methylsulfinylpyrimidine
- IUPAC
- methyl 4-[(3-chloro-4-methoxyphenyl)methylamino]-6-(4-hydroxypiperidin-1-yl)-2-methylsulfinylpyrimidine-5-carboxylate
Names & synonyms
SCHEMBL4977886MTVJTXAKONWTTD-UHFFFAOYSA-N4-(3-chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-(4-hydroxypiperidin-1 yl)-2-methylsulfinylpyrimidine4-(3-chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-(4-hydroxypiperidin-1-yl)-2-methylsulfinylpyrimidine4-(3-chloro-4-methoxybenzylamino)-5-methoxycarbonyl-6-(4-hydroxypiperidin-1yl)-2-methylsulfinylpyrimidine
Database identifiers
- PubChem CID
- 17848319
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 624
Related reactions
6 records
Compound notes
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