1-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
1-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L927-0143 |
| Compound Name: | 1-{[3-(4-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methoxyphenyl)methyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 498.92 |
| Molecular Formula: | C23 H16 Cl F N4 O4 S |
| Smiles: | COc1ccc(CN2C(c3c(ccs3)N(Cc3nc(c4ccc(c(c4)F)[Cl])no3)C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6417 |
| logD: | 5.6417 |
| logSw: | -6.0008 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.172 |
| InChI Key: | XKIHZUILBFGMAB-UHFFFAOYSA-N |