Basic information
- Standard SMILES
CN(C)[C@@H]1CCN(C(=O)c2ccc3c(c2)-c2sc(-c4ncnn4-c4ccc(F)cc4F)cc2CCO3)C1- InChIKey
JVSGISXIGDOANU-LJQANCHMSA-N- Molecular formula
- C27H25F2N5O2S
- Average molar mass
- 521.6 g/mol
Names & identifiers
- Preferred name
- (2-(1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-9-yl)((R)-3-(dimethylamino)pyrrolidin-1-yl)methanone
- IUPAC
- [2-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]-4,5-dihydrothieno[3,2-d][1]benzoxepin-9-yl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
Names & synonyms
SCHEMBL1042190JVSGISXIGDOANU-LJQANCHMSA-N(2-(1-(2,4-difluorophenyl)-1H-1,2,4-triazol-5-yl)-4,5-dihydrobenzo[b]thieno[2,3-d]oxepin-9-yl)((R)-3-(dimethylamino)pyrrolidin-1-yl)methanone
Database identifiers
- PubChem CID
- 57900308
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 826
Related reactions
4 records
Linked notes
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