Basic information
- Standard SMILES
CNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(C(=O)N5CC[C@@H](N(C)C(=O)OC(C)(C)C)C5)sc34)ccc12- InChIKey
DAJUXRDBUUJICX-GOSISDBHSA-N- Molecular formula
- C30H35N5O5S
- Average molar mass
- 577.7 g/mol
Names & identifiers
- Preferred name
- tert-butyl (3R)-1-{[7-({1,2-dimethyl-3-[(methylamino)carbonyl]-1H-indol-6-yl}oxy)thieno[3,2-b]pyridin-2-yl]carbonyl}pyrrolidin-3-yl(methyl)carbamate
- IUPAC
- tert-butyl N-[(3R)-1-[7-[1,2-dimethyl-3-(methylcarbamoyl)indol-6-yl]oxythieno[3,2-b]pyridine-2-carbonyl]pyrrolidin-3-yl]-N-methylcarbamate
Names & synonyms
SCHEMBL5245189DAJUXRDBUUJICX-GOSISDBHSA-Ntert-butyl (3R)-1-{[7-({1,2-dimethyl-3-[(methylamino)carbonyl]-1H-indol-6-yl}oxy)thieno[3,2-b]pyridin-2-yl]carbonyl}pyrrolidin-3-yl(methyl)carbamatetert-butyl-(3r)-1-{[7-({1,2-dimethyl-3-[(methylamino)carbonyl]-1h-indol-6-yl}oxy)thieno[3,2-b]pyridin-2-yl]carbonyl}pyrrolidin-3-yl(methyl)carbamate
Database identifiers
- PubChem CID
- 20767773
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 993
Related reactions
2 records
Compound notes
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