2-({2,4-dioxo-3-[(pyridin-2-yl)methyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({2,4-dioxo-3-[(pyridin-2-yl)methyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}methyl)benzonitrile
2-({2,4-dioxo-3-[(pyridin-2-yl)methyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | C688-0027 |
| Compound Name: | 2-({2,4-dioxo-3-[(pyridin-2-yl)methyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-1(2H)-yl}methyl)benzonitrile |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C24 H16 N4 O2 S |
| Smiles: | C(c1ccccc1C#N)N1C(N(Cc2ccccn2)C(c2c1c1ccccc1s2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1778 |
| logD: | 4.1778 |
| logSw: | -4.4909 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.77 |
| InChI Key: | CTSZXQWEKDDGFT-UHFFFAOYSA-N |