Basic information
- Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(B4OC(C)(C)C(C)(C)O4)cc23)CC1- InChIKey
JQGPTWOSQMRKLG-UHFFFAOYSA-N- Molecular formula
- C22H32BN3O5S
- Average molar mass
- 461.4 g/mol
Names & identifiers
- Preferred name
- 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide
- IUPAC
- 3-(1-ethylsulfonylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL553092JQGPTWOSQMRKLG-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide860625-20-3DA-244643-[1-(ethanesulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxa-borolan-2-yl)-1H-indole-7-carboxamide3-[1-(ethanesulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-indole-7-carboxamide
Database identifiers
- PubChem CID
- 59828929
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 806
Related reactions
45 records
Linked notes
Loading…