3-ethyl-7-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-ethyl-7-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
3-ethyl-7-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8640-0138 |
| Compound Name: | 3-ethyl-7-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | CCN1C(=Nc2c(C1=O)c1CCN(C)Cc1s2)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8657 |
| logD: | 2.8555 |
| logSw: | -3.2668 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.247 |
| InChI Key: | IIICXVINTTYMIX-UHFFFAOYSA-N |