Basic information
- Standard SMILES
CN(Cc1ccc([C@H]2COc3cccnc3O2)cc1)C1CCS(=O)(=O)C1- InChIKey
VKLGZVWDVSLOLN-UHUGOGIASA-N- Molecular formula
- C19H22N2O4S
- Average molar mass
- 374.5 g/mol
Names & identifiers
- Preferred name
- [(S)-4-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)-benzyl]-(1,1-dioxo-tetrahydro-1lambda-6-thiophen-3-yl)-methyl-amine
- IUPAC
- N-[[4-[(3S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl]phenyl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
Names & synonyms
CHEMBL5957606SCHEMBL15249442VKLGZVWDVSLOLN-UHUGOGIASA-NBDBM327197US9662339, 280[(S)-4-(2,3-Dihydro- [1,4]dioxino[2,3-b]pyridin-3-yl)- benzyl]-(1,1-dioxo-tetrahydro- 1lambda-6-thiophen-3-yl)-methyl- amine[(S)-4-(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-3-yl)-benzyl]-(1,1-dioxo-tetrahydro-1lambda-6-thiophen-3-yl)-methyl-amine
Database identifiers
- PubChem CID
- 86695366
- ChEMBL
CHEMBL5957606
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 571
Related reactions
1 records
Compound notes
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