3-[({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-ethoxyphenyl}methylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-ethoxyphenyl}methylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
3-[({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-ethoxyphenyl}methylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 4215-0149 |
| Compound Name: | 3-[({4-[(2-chloro-5-fluoropyrimidin-4-yl)oxy]-3-ethoxyphenyl}methylidene)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 499.95 |
| Molecular Formula: | C23 H19 Cl F N5 O3 S |
| Smiles: | CCOc1cc(/C=N/N2C=Nc3c(C2=O)c2CCCCc2s3)ccc1Oc1c(cnc(n1)[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 4.427 |
| logD: | 4.4077 |
| logSw: | -5.0325 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.666 |
| InChI Key: | VTEFWOIVAHZVAZ-UHFFFAOYSA-N |