2-[(4-methylbenzene-1-sulfonyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-[(4-methylbenzene-1-sulfonyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
2-[(4-methylbenzene-1-sulfonyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8576-1309 |
| Compound Name: | 2-[(4-methylbenzene-1-sulfonyl)methyl]-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C20 H16 N2 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(CC1NC(c2c(csc2N=1)c1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.703 |
| logD: | 3.7029 |
| logSw: | -4.2084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.567 |
| InChI Key: | XKQBJIDHLJYCOT-UHFFFAOYSA-N |