3-[(2-chlorophenyl)methyl]-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-chlorophenyl)methyl]-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-chlorophenyl)methyl]-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: | E793-1913 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-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: | 498.02 |
| Molecular Formula: | C24 H20 Cl N3 O3 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSC1=Nc2ccsc2C(N1Cc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1184 |
| logD: | 5.1184 |
| logSw: | -5.552 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.798 |
| InChI Key: | ONPXPECEGBPCIQ-UHFFFAOYSA-N |