4-{4-[4-(benzenesulfonyl)piperazin-1-yl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}-N,N-dimethylaniline
Chemical Structure Depiction of
4-{4-[4-(benzenesulfonyl)piperazin-1-yl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}-N,N-dimethylaniline
4-{4-[4-(benzenesulfonyl)piperazin-1-yl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}-N,N-dimethylaniline
Compound characteristics
| Compound ID: | V030-3455 |
| Compound Name: | 4-{4-[4-(benzenesulfonyl)piperazin-1-yl]-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}-N,N-dimethylaniline |
| Molecular Weight: | 547.74 |
| Molecular Formula: | C29 H33 N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CC1CCc2c3c(nc(c4ccc(cc4)N(C)C)nc3sc2C1)N1CCN(CC1)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2556 |
| logD: | 7.0975 |
| logSw: | -6.1803 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.272 |
| InChI Key: | AGQYNIQCGXUUDI-HXUWFJFHSA-N |