4-({7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile
Chemical Structure Depiction of
4-({7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile
4-({7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile
Compound characteristics
| Compound ID: | 8018-5654 |
| Compound Name: | 4-({7-[(3,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile |
| Molecular Weight: | 438.33 |
| Molecular Formula: | C18 H17 Cl2 N5 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccc(c(c2)[Cl])[Cl])SCCCC#N)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7683 |
| logD: | 3.7683 |
| logSw: | -4.1228 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.778 |
| InChI Key: | PBELTZBBZQZIIJ-UHFFFAOYSA-N |