1-benzoyl-3-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}azepan-2-one
Chemical Structure Depiction of
1-benzoyl-3-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}azepan-2-one
1-benzoyl-3-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}azepan-2-one
Compound characteristics
| Compound ID: | 4112-3992 |
| Compound Name: | 1-benzoyl-3-{[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl}azepan-2-one |
| Molecular Weight: | 494.03 |
| Molecular Formula: | C25 H20 Cl N3 O2 S2 |
| Smiles: | C1CCN(C(C(C1)Sc1c2c(csc2ncn1)c1ccc(cc1)[Cl])=O)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8454 |
| logD: | 5.8454 |
| logSw: | -6.039 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.441 |
| InChI Key: | ABHYDWCVUDOEFL-FQEVSTJZSA-N |