Basic information
- Standard SMILES
Cl.O=C1CSc2ccc(CNC3CCN(C[C@@H]4Cn5c(=O)ccc6ncc(=O)n4c65)CC3)nc2N1- InChIKey
WWXODCKDJTZQOI-PKLMIRHRSA-N- Molecular formula
- C23H26ClN7O3S
- Average molar mass
- 516 g/mol
- Monoisotopic mass
- 515.1506366
Names & identifiers
- Preferred name
- (2R)-2-[(4-{[(3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl]amino}-1-piperidinyl)methyl]-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione hydrochloride
- IUPAC
- (3R)-3-[[4-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione;hydrochloride
Names & synonyms
SCHEMBL3324716WWXODCKDJTZQOI-PKLMIRHRSA-N(2R)-2-[(4-{[(3-Oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl]amino}-1-piperidinyl)methyl]-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione hydrochloride
Database identifiers
- PubChem CID
- 68596274
Properties
Computed structural properties
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 974
Related reactions
1 records
Compound notes
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