4-({7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile
Chemical Structure Depiction of
4-({7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile
4-({7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile
Compound characteristics
| Compound ID: | 8014-9434 |
| Compound Name: | 4-({7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)butanenitrile |
| Molecular Weight: | 421.88 |
| Molecular Formula: | C18 H17 Cl F N5 O2 S |
| Smiles: | CN1C(c2c(nc(n2Cc2c(cccc2[Cl])F)SCCCC#N)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0643 |
| logD: | 3.0643 |
| logSw: | -3.5175 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.778 |
| InChI Key: | DUYSWWLXBSKAEN-UHFFFAOYSA-N |