Basic information
- Standard SMILES
CC1CCN(C(=O)C(Cc2cc3c(N)nccc3s2)NS(=O)(=O)N2CCOc3ccccc3C2)CC1- InChIKey
WZVZLGPJGQFXAL-UHFFFAOYSA-N- Molecular formula
- C25H31N5O4S2
- Average molar mass
- 529.7 g/mol
- Monoisotopic mass
- 529.18174683
Names & identifiers
- Preferred name
- 2,3-Dihydro-5H-benzo[f][1,4]oxazepine-4-sulfonic acid [1-(4-amino-thieno[3,2-c]pyridin-2-ylmethyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-amide
- IUPAC
- N-[3-(4-aminothieno[3,2-c]pyridin-2-yl)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine-4-sulfonamide
Names & synonyms
WZVZLGPJGQFXAL-UHFFFAOYSA-N2,3-Dihydro-5H-benzo[f][1,4]oxazepine-4-sulfonic acid [1-(4-amino-thieno[3,2-c]pyridin-2-ylmethyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-amide2.3-Dihydro-5H-benzo[f][1,4]oxazepine-4-sulfonic acid [1-(4-amino-thieno[32-c]pyridin-2-ylmethyl)-2-(4-methyl-piperidin-1-yl)-2-oxo-ethyl]-amide
Database identifiers
- PubChem CID
- 86756459
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 863
Related reactions
5 records
Compound notes
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