(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-thieno[2,3-d]azepin-6-yl)-methanone
Basic information
- Standard SMILES
O=C(c1cc2ncc(Br)cn2n1)N1CCc2ccsc2CC1- InChIKey
OHYAXRDMSLZLIC-UHFFFAOYSA-N- Molecular formula
- C15H13BrN4OS
- Average molar mass
- 377.3 g/mol
- Monoisotopic mass
- 375.99934
Names & identifiers
- Preferred name
- (6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-thieno[2,3-d]azepin-6-yl)-methanone
- IUPAC
- (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydrothieno[2,3-d]azepin-6-yl)methanone
Names & synonyms
CHEMBL3672899SCHEMBL15282730OHYAXRDMSLZLIC-UHFFFAOYSA-NBDBM158160US9029360, 3(6-Bromo-pyrazolo[1,5-a]pyrimidin-2-yl)-(4,5,7,8-tetrahydro-thieno[2,3-d]azepin-6-yl)-methanone
Database identifiers
- PubChem CID
- 71748044
- ChEMBL
CHEMBL3672899
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 440
Related reactions
1 records
Compound notes
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