N-(4-ethoxyphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-(4-ethoxyphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | L150-1229 |
| Compound Name: | N-(4-ethoxyphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | CCn1c2c(C(N(C)C(N2C)=O)=O)nc1SCCC(Nc1ccc(cc1)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1657 |
| logD: | 3.1656 |
| logSw: | -3.4628 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.228 |
| InChI Key: | BUUPHUWWENVJGV-UHFFFAOYSA-N |