ethyl 4-[2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate
ethyl 4-[2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8015-0567 |
| Compound Name: | ethyl 4-[2-({1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 576.46 |
| Molecular Formula: | C25 H23 Cl2 N5 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nc2c(C(N(Cc3ccc(cc3[Cl])[Cl])C(N2C)=O)=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2398 |
| logD: | 5.2398 |
| logSw: | -5.7257 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.962 |
| InChI Key: | NFAOCCZKYDSTPU-UHFFFAOYSA-N |