N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
N-(2,3-dimethylphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | L150-1228 |
| Compound Name: | N-(2,3-dimethylphenyl)-3-[(9-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propanamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | CCn1c2c(C(N(C)C(N2C)=O)=O)nc1SCCC(Nc1cccc(C)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4272 |
| logD: | 3.4272 |
| logSw: | -3.5838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.406 |
| InChI Key: | VNWMNHGZYVIQRP-UHFFFAOYSA-N |