5-Isopropyl-pyridine-2-sulphonic acid 5-(2-chloro-5-methoxy-phenoxy)-6-hydroxymethyl-2-morpholin-4-yl-pyrimidin-4-ylamide
Basic information
- Standard SMILES
COc1ccc(Cl)c(Oc2c(CO)nc(N3CCOCC3)nc2NS(=O)(=O)c2ccc(C(C)C)cn2)c1- InChIKey
QCDBVVRSNZSSKL-UHFFFAOYSA-N- Molecular formula
- C24H28ClN5O6S
- Average molar mass
- 550 g/mol
- Monoisotopic mass
- 549.1448825
Names & identifiers
- Preferred name
- 5-Isopropyl-pyridine-2-sulphonic acid 5-(2-chloro-5-methoxy-phenoxy)-6-hydroxymethyl-2-morpholin-4-yl-pyrimidin-4-ylamide
- IUPAC
- N-[5-(2-chloro-5-methoxyphenoxy)-6-(hydroxymethyl)-2-morpholin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
Names & synonyms
SCHEMBL7842111QCDBVVRSNZSSKL-UHFFFAOYSA-N5-isopropyl-pyridine-2-sulphonic acid 5-(2-chloro-5-methoxy-phenoxy)-6-hydroxymethyl-2-morpholin-4-yl-pyrimidin-4-ylamide
Database identifiers
- PubChem CID
- 17868375
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 814
Related reactions
2 records
Compound notes
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