N-(5-chloro-2-methoxyphenyl)-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(5-chloro-2-methoxyphenyl)-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C280-1071 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[3-(4-fluorophenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 491.99 |
| Molecular Formula: | C22 H19 Cl F N3 O3 S2 |
| Smiles: | CC1CC2=C(C(N(C(=N2)SCC(Nc2cc(ccc2OC)[Cl])=O)c2ccc(cc2)F)=O)S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9477 |
| logD: | 3.9459 |
| logSw: | -4.3504 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.578 |
| InChI Key: | BXKHMHIDHXVWNI-GFCCVEGCSA-N |