Basic information
- Standard SMILES
CNC(=O)Nc1ccc2c(c1)OCCc1cc(C(=O)N(C)c3ccccc3Cl)sc1-2- InChIKey
ISCVEEWPKMQWOD-UHFFFAOYSA-N- Molecular formula
- C22H20ClN3O3S
- Average molar mass
- 441.9 g/mol
- Monoisotopic mass
- 441.0913904
Names & identifiers
- Preferred name
- N-(2-chlorophenyl)-N-methyl-8-(3-methylureido)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide
- IUPAC
- N-(2-chlorophenyl)-N-methyl-8-(methylcarbamoylamino)-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
Names & synonyms
SCHEMBL989362ISCVEEWPKMQWOD-UHFFFAOYSA-NN-(2-chlorophenyl)-N-methyl-8-(3-methylureido)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide
Database identifiers
- PubChem CID
- 44242564
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 639
Related reactions
4 records
Compound notes
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