3-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C258-0667 |
| Compound Name: | 3-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 535.06 |
| Molecular Formula: | C28 H27 Cl N4 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(C(N(CC(N3CCN(CC3)c3ccccc3)=O)c1s2)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.621 |
| logD: | 4.6209 |
| logSw: | -5.1776 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.68 |
| InChI Key: | YKXJAFXKNSVXAQ-UHFFFAOYSA-N |