Basic information
- Standard SMILES
COc1ccccc1Oc1c(Cl)nc(N2CCOCC2)nc1NS(=O)(=O)c1ccc(C(C)C)cn1- InChIKey
MMCXUIJMDZBTQZ-UHFFFAOYSA-N- Molecular formula
- C23H26ClN5O5S
- Average molar mass
- 520 g/mol
- Monoisotopic mass
- 519.1343178
Names & identifiers
- Preferred name
- 5-Isopropyl-pyridine-2-sulfonic acid 6-chloro-5-(2-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-yl-amide
- IUPAC
- N-[6-chloro-5-(2-methoxyphenoxy)-2-morpholin-4-ylpyrimidin-4-yl]-5-propan-2-ylpyridine-2-sulfonamide
Names & synonyms
SCHEMBL6583838MMCXUIJMDZBTQZ-UHFFFAOYSA-NDB-1303855-isopropyl-pyridine-2-sulfonic acid 6-chloro-5-(2-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-yl-amide5-isopropyl-pyridine-2-sulphonic acid 6-chloro-5-(2-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-ylamideN-[6-chloro-5-(2-methoxyphenoxy)-2-(4-morpholinyl)-4-pyrimidinyl]-5-(1-methylethyl)-2-pyridinesulfonamide
Database identifiers
- PubChem CID
- 22729406
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 766
Related reactions
7 records
Linked notes
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