2-({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
2-({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | K263-0546 |
| Compound Name: | 2-({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[4-(propan-2-yl)phenyl]acetamide |
| Molecular Weight: | 520.72 |
| Molecular Formula: | C28 H32 N4 O2 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2c3ccccc3sc2C(N1CCCN1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7958 |
| logD: | 3.597 |
| logSw: | -5.6475 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.742 |
| InChI Key: | PZRVDPXCHKBYDJ-UHFFFAOYSA-N |