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Basic information
- Standard SMILES
Cl.O=c1ccc2ncc(=O)n3c2n1C[C@@H]3CN1CCC(NCc2cc3c(cn2)OCS3)CC1- InChIKey
QMZKWHLOJFUWQF-NTISSMGPSA-N- Molecular formula
- C22H25ClN6O3S
- Average molar mass
- 489 g/mol
Names & identifiers
- Preferred name
- (2S)-2-({4-[([1,3]Oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione hydrochloride
- IUPAC
- (3S)-3-[[4-([1,3]oxathiolo[5,4-c]pyridin-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
SCHEMBL3324747QMZKWHLOJFUWQF-NTISSMGPSA-N(2S)-2-({4-[([1,3]Oxathiolo[5,4-c]pyridin-6-ylmethyl)amino]-1-piperidinyl}methyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione hydrochloride
Database identifiers
- PubChem CID
- 68596285
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 883
Related reactions
1 records
Compound notes
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