Basic information
- Standard SMILES
Cc1cc2cc(Nc3ccnc4cc(C(=O)N5CC6C(C5)C6NC(=O)OC(C)(C)C)sc34)ccc2[nH]1- InChIKey
ZCUBHJYAVJTSTE-UHFFFAOYSA-N- Molecular formula
- C27H29N5O3S
- Average molar mass
- 503.6 g/mol
Names & identifiers
- Preferred name
- {3-[7-(2-Methyl-1h-indol-5-ylamino)-thieno[3,2-b]pyridine-2-carbonyl]-3-aza-bicyclo[3.1.0]hex-6-yl}-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[3-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
Names & synonyms
SCHEMBL6302174ZCUBHJYAVJTSTE-UHFFFAOYSA-N{3-[7-(2-methyl-1h-indol-5-ylamino)-thieno[3,2-b]pyridine-2-carbonyl]-3-aza-bicyclo[3.1.0]hex-6-yl}-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 69735809
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 855
Related reactions
1 records
Compound notes
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