3-[2-(4-chlorophenyl)ethyl]-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-chlorophenyl)ethyl]-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
3-[2-(4-chlorophenyl)ethyl]-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | E793-3983 |
| Compound Name: | 3-[2-(4-chlorophenyl)ethyl]-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 512.05 |
| Molecular Formula: | C25 H22 Cl N3 O3 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSC1=Nc2ccsc2C(N1CCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3283 |
| logD: | 5.3283 |
| logSw: | -5.7695 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.776 |
| InChI Key: | XADHMIIBQPGAKU-UHFFFAOYSA-N |