2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
Basic information
- CAS
330663-20-2- Standard SMILES
COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=Nc2sc3c(c2C#N)CCCC3)cc1- InChIKey
CJPIJBNKRAQRFT-UHFFFAOYSA-N- Molecular formula
- C27H23N3O4S
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.1409274
Names & identifiers
- Preferred name
- 2-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
- IUPAC
- 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)chromene-3-carboxamide
Names & synonyms
Oprea1_467244DTXSID2011067482-[(3-Cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide330663-20-22-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-6-methoxy-N-(4-methoxyphenyl)-2H-1-benzopyran-3-carboxamide
Database identifiers
- CAS
330663-20-2- PubChem CID
- 3489348
- DTXSID
DTXSID201106748
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 890
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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