2-{[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C258-0305 |
| Compound Name: | 2-{[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C25 H21 N3 O3 S |
| Smiles: | COc1cccc(c1)N1C(c2c3CCCCc3sc2N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8858 |
| logD: | 4.8858 |
| logSw: | -4.7883 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.628 |
| InChI Key: | JUNGNKOIVHAZNI-UHFFFAOYSA-N |