3-{1-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-yl]piperidin-4-ylamino}propane-1,2-diol
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Basic information
- Standard SMILES
CC1(C)CCC(C)(C)c2cc(-c3csc(N4CCC(NCC(O)CO)CC4)n3)ccc21- InChIKey
LPBMIRDZOONKNP-UHFFFAOYSA-N- Molecular formula
- C25H37N3O2S
- Average molar mass
- 443.6 g/mol
- Monoisotopic mass
- 443.26064861
Names & identifiers
- Preferred name
- 3-{1-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-yl]piperidin-4-ylamino}propane-1,2-diol
- IUPAC
- 3-[[1-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-4-yl]amino]propane-1,2-diol
Names & synonyms
SCHEMBL2227465LPBMIRDZOONKNP-UHFFFAOYSA-N3-{1-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)thiazol-2-yl]piperidin-4-ylamino}propane-1,2-diol
Database identifiers
- PubChem CID
- 53312367
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 593
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Related reactions
1 records
Compound notes
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