2-{[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
2-{[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | C241-1120 |
| Compound Name: | 2-{[3-(3-chloro-4-fluorophenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 411.84 |
| Molecular Formula: | C20 H11 Cl F N3 O2 S |
| Smiles: | C(c1ccccc1C#N)N1C(N(C(c2c1ccs2)=O)c1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1704 |
| logD: | 4.1704 |
| logSw: | -4.4667 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.73 |
| InChI Key: | RLISMDHSMDZPLR-UHFFFAOYSA-N |