Basic information
- Standard SMILES
Nc1nc(-c2cc3c(s2)-c2ncccc2OCC3)c(-c2ccccc2Cl)s1- InChIKey
ONBJZVFXSZYJTJ-UHFFFAOYSA-N- Molecular formula
- C20H14ClN3OS2
- Average molar mass
- 411.9 g/mol
Names & identifiers
- Preferred name
- 4-(6,7-Dihydropyrido[3,2-b]thieno[2,3-d]oxepin-9-yl)-(5-(2-chlorophenyl))-thiazol-2-amine
- IUPAC
- 5-(2-chlorophenyl)-4-(9-oxa-3-thia-14-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-yl)-1,3-thiazol-2-amine
Names & synonyms
SCHEMBL989431ONBJZVFXSZYJTJ-UHFFFAOYSA-N4-(6,7-dihydropyrido[3,2-b]thieno[2,3-d]oxepin-9-yl)-(5-(2-chlorophenyl))-thiazol-2-amine
Database identifiers
- PubChem CID
- 44242562
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 529
Related reactions
4 records
Compound notes
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