2-{[3-(3-methoxyphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(3-methoxyphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[3-(3-methoxyphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C241-0348 |
| Compound Name: | 2-{[3-(3-methoxyphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C21 H15 N3 O3 S |
| Smiles: | COc1cccc(c1)N1C(c2c(ccs2)N(Cc2ccccc2C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7394 |
| logD: | 3.7394 |
| logSw: | -4.0483 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.274 |
| InChI Key: | MJEIKODNKMZDHP-UHFFFAOYSA-N |