N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | C046-0242 |
| Compound Name: | N-{4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxobutyl}-2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C27 H33 N5 O4 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CCCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1168 |
| logD: | 2.1164 |
| logSw: | -2.8453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.671 |
| InChI Key: | CMXKNFUDJAUBGJ-UHFFFAOYSA-N |