Basic information
- Standard SMILES
Cl.O=c1ccc2ncc(=O)n3c2n1C[C@H]3CN1CCC(NCc2ccc3c(c2)OCCO3)CC1- InChIKey
SJCDWQCXOBYEEC-GMUIIQOCSA-N- Molecular formula
- C24H28ClN5O4
- Average molar mass
- 486 g/mol
- Monoisotopic mass
- 485.1829821
Names & identifiers
- Preferred name
- (2R)-2-({4-[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione hydrochloride
- IUPAC
- (3R)-3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)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
SCHEMBL3331506SJCDWQCXOBYEEC-GMUIIQOCSA-N(2R)-2-({4-[(2,3-Dihydro-1,4-benzodioxin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione hydrochloride
Database identifiers
- PubChem CID
- 68599741
Properties
Computed structural properties
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 893
Related reactions
1 records
Compound notes
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