2-{4-[(4-bromophenyl)carbonyl]piperazin-1-yl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Basic information
- CAS
1010927-48-6- Standard SMILES
Cn1c(N2CCN(C(=O)c3ccc(Br)cc3)CC2)nc2sc3c(c2c1=O)CCCC3- InChIKey
BNOKBUDZNWPIPN-UHFFFAOYSA-N- Molecular formula
- C22H23BrN4O2S
- Average molar mass
- 487.4 g/mol
Names & identifiers
- Preferred name
- 2-{4-[(4-bromophenyl)carbonyl]piperazin-1-yl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 2-[4-(4-bromobenzoyl)piperazin-1-yl]-3-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 2-{4-[(4-bromophenyl)carbonyl]piperazin-1-yl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- Molecular formula
- C22H23BrN4O2S
- Molecular weight
- 487.41
Names & synonyms
2-(4-(4-bromobenzoyl)piperazin-1-yl)-3-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-oneSTK644465AKOS0055774632-{4-[(4-bromophenyl)carbonyl]piperazin-1-yl}-3-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one[1]Benzothieno[2,3-d]pyrimidin-4(3H)-one, 2-[4-(4-bromobenzoyl)-1-piperazinyl]-5,6,7,8-tetrahydro-3-methyl-
Database identifiers
- CAS
1010927-48-6
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 718
Physicochemical properties
- Boiling point
- 681.7 · 681.7±65.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- pka
- 0.5 · 0.50±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…