Basic information
- Standard SMILES
Cc1ccc(-c2cnc3c(c2)[C@]2(CSC(NC(=O)OC(C)(C)C)=N2)c2cc(C#CC4(C)COC4)ccc2O3)cn1- InChIKey
LMNXAUZGZXUZCI-HKBQPEDESA-N- Molecular formula
- C31H30N4O4S
- Average molar mass
- 554.7 g/mol
- Monoisotopic mass
- 554.19877662
Names & identifiers
- Preferred name
- (S)-tert-butyl 7-((3-methyloxetan-3-yl)ethynyl)-3-(6-methylpyridin-3-yl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-thiazole]-2'-ylcarbamate
- IUPAC
- tert-butyl N-[(4S)-7'-[2-(3-methyloxetan-3-yl)ethynyl]-3'-(6-methyl-3-pyridinyl)spiro[5H-1,3-thiazole-4,5'-chromeno[2,3-b]pyridine]-2-yl]carbamate
Names & synonyms
SCHEMBL2519147LMNXAUZGZXUZCI-HKBQPEDESA-N(S)-tert-butyl 7-((3-methyloxetan-3-yl)ethynyl)-3-(6-methylpyridin-3-yl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-thiazole]-2'-ylcarbamate
Database identifiers
- PubChem CID
- 67436896
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
2 records
Compound notes
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