2-{[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 5067-0838 |
| Compound Name: | 2-{[1-(4-chlorobenzoyl)-2-oxoazepan-3-yl]sulfanyl}-3-(prop-2-en-1-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 528.09 |
| Molecular Formula: | C26 H26 Cl N3 O3 S2 |
| Smiles: | C=CCN1C(=Nc2c(C1=O)c1CCCCc1s2)SC1CCCCN(C1=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.408 |
| logD: | 5.408 |
| logSw: | -6.3417 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.543 |
| InChI Key: | YULBZOGWKNWCBA-FQEVSTJZSA-N |