N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | C367-0088 |
| Compound Name: | N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 519.64 |
| Molecular Formula: | C28 H30 F N5 O2 S |
| Smiles: | C1CCc2c(C1)c1C(N3C=CC=C(C3=Nc1s2)C(NCCCN1CCN(CC1)c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3499 |
| logD: | 3.0487 |
| logSw: | -3.8085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.525 |
| InChI Key: | YIABRQFKYVTJOK-UHFFFAOYSA-N |