Basic information
- Standard SMILES
CC(C)c1nc(C(=O)N2CCOC3(CCN(Cc4cc(CC=O)cs4)CC3)C2)cs1- InChIKey
UTFZLCQSDZNBPY-UHFFFAOYSA-N- Molecular formula
- C22H29N3O3S2
- Average molar mass
- 447.6 g/mol
Names & identifiers
- Preferred name
- 2-(5-((4-(2-Isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)thiophen-3-yl)acetaldehyde
- IUPAC
- 2-[5-[[4-(2-propan-2-yl-1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methyl]thiophen-3-yl]acetaldehyde
Names & synonyms
SCHEMBL2140018UTFZLCQSDZNBPY-UHFFFAOYSA-N2-(5-((4-(2-Isopropylthiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methyl)thiophen-3-yl)acetaldehyde
Database identifiers
- PubChem CID
- 57988985
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 612
Related reactions
3 records
Compound notes
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