1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-chloropropan-1-one
Chemical Structure Depiction of
1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-chloropropan-1-one
1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-chloropropan-1-one
Compound characteristics
| Compound ID: | V001-3178 |
| Compound Name: | 1-[4-(2-butyl-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-3-chloropropan-1-one |
| Molecular Weight: | 435.03 |
| Molecular Formula: | C22 H31 Cl N4 O S |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c3CCC(C)Cc3sc2n1)N1CCN(CC1)C(CC[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5829 |
| logD: | 5.1341 |
| logSw: | -5.4325 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.411 |
| InChI Key: | JAIVHDBGIRBWHX-OAHLLOKOSA-N |