7-tert-butyl-2-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-tert-butyl-2-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
7-tert-butyl-2-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F145-0706 |
| Compound Name: | 7-tert-butyl-2-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 506.71 |
| Molecular Formula: | C29 H38 N4 O2 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCC1NC(c2c3CCC(Cc3sc2N=1)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8148 |
| logD: | 5.8141 |
| logSw: | -5.5087 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.075 |
| InChI Key: | OBLSNCLCSWHQBG-HXUWFJFHSA-N |