[4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3-nitrophenyl)methanone
Chemical Structure Depiction of
[4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3-nitrophenyl)methanone
[4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V018-1285 |
| Compound Name: | [4-(2-butyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl](3-nitrophenyl)methanone |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C25 H29 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c3CCCCc3sc2n1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8194 |
| logD: | 5.2077 |
| logSw: | -5.6679 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.049 |
| InChI Key: | GBRAJBHPCZWQNE-UHFFFAOYSA-N |