N-[(4-methylphenyl)methyl]-2-({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
N-[(4-methylphenyl)methyl]-2-({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K263-0548 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 506.69 |
| Molecular Formula: | C27 H30 N4 O2 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c4ccccc4sc3C(N2CCCN2CCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5623 |
| logD: | 2.3635 |
| logSw: | -4.1528 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.064 |
| InChI Key: | CJSRHKKCGJFMKE-UHFFFAOYSA-N |