Basic information
- Standard SMILES
COc1ccccc1Nc1n[nH]c2c1Cc1sccc1-2- InChIKey
BULZFRUMOSKDPC-UHFFFAOYSA-N- Molecular formula
- C15H13N3OS
- Average molar mass
- 283.4 g/mol
Names & identifiers
- Preferred name
- (4,7-Dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl)-(2-methoxy-phenyl)-amine
- IUPAC
- N-(2-methoxyphenyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraen-5-amine
Names & synonyms
SCHEMBL15312203BULZFRUMOSKDPC-UHFFFAOYSA-N(4,7-Dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalen-6-yl)-(2-methoxy-phenyl)-amine
Database identifiers
- PubChem CID
- 71815516
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
1 records
Compound notes
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