3-({7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(3,4-dimethylphenyl)propanamide
Chemical Structure Depiction of
3-({7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(3,4-dimethylphenyl)propanamide
3-({7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(3,4-dimethylphenyl)propanamide
Compound characteristics
| Compound ID: | 8015-2239 |
| Compound Name: | 3-({7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(3,4-dimethylphenyl)propanamide |
| Molecular Weight: | 546.47 |
| Molecular Formula: | C25 H25 Cl2 N5 O3 S |
| Smiles: | Cc1ccc(cc1C)NC(CCSc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1c(cccc1[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1427 |
| logD: | 6.1427 |
| logSw: | -6.135 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.164 |
| InChI Key: | SRLBNKGQNMICLB-UHFFFAOYSA-N |