2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethan-1-one
2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | 6280-1362 |
| Compound Name: | 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 403.95 |
| Molecular Formula: | C19 H18 Cl N3 O S2 |
| Smiles: | C1CCc2c3c(N)nc(nc3sc2CC1)SCC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4584 |
| logD: | 5.4583 |
| logSw: | -6.0447 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.56 |
| InChI Key: | UAGLXIWKMPQPPR-UHFFFAOYSA-N |