3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide
3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | M107-0456 |
| Compound Name: | 3-{[1,3-dimethyl-2,6-dioxo-9-(2-phenylethyl)-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[(thiophen-2-yl)methyl]propanamide |
| Molecular Weight: | 483.61 |
| Molecular Formula: | C23 H25 N5 O3 S2 |
| Smiles: | CN1C(c2c(N(C)C1=O)n(CCc1ccccc1)c(n2)SCCC(NCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7855 |
| logD: | 3.7855 |
| logSw: | -3.8865 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.426 |
| InChI Key: | AZYQOIBXONVTPE-UHFFFAOYSA-N |