[4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](4-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](4-nitrophenyl)methanone
[4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V009-3379 |
| Compound Name: | [4-(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](4-nitrophenyl)methanone |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | Cc1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3374 |
| logD: | 3.9689 |
| logSw: | -4.4391 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.671 |
| InChI Key: | DTKLMBDIMJCASI-UHFFFAOYSA-N |