4-(5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carbonyl)-thiomorpholine-3-carboxylic acid amide
Basic information
- Standard SMILES
NC(=O)C1CSCCN1C(=O)c1ccc(C2CC2)c(OCC2CC2)n1- InChIKey
FACJIODPNQMPJQ-UHFFFAOYSA-N- Molecular formula
- C18H23N3O3S
- Average molar mass
- 361.5 g/mol
Names & identifiers
- Preferred name
- 4-(5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carbonyl)-thiomorpholine-3-carboxylic acid amide
- IUPAC
- 4-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]thiomorpholine-3-carboxamide
Names & synonyms
CHEMBL3941427SCHEMBL15776632FACJIODPNQMPJQ-UHFFFAOYSA-NBDBM221163US9303012, 894-(5-Cyclopropyl-6-cyclopropylmethoxy-pyridine-2-carbonyl)-thiomorpholine-3-carboxylic acid amide
Database identifiers
- PubChem CID
- 76280802
- ChEMBL
CHEMBL3941427
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 524
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Related reactions
1 records
Compound notes
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