2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide
2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | 8017-3692 |
| Compound Name: | 2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C22 H23 N5 O3 S2 |
| Smiles: | Cc1ccccc1Cn1c2C(N(C)C(N(C)c2nc1SCC(NCc1cccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2739 |
| logD: | 4.2738 |
| logSw: | -4.2064 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.505 |
| InChI Key: | AMWYTDJEAJPHTP-UHFFFAOYSA-N |