ethyl 5-[(2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamido)methyl]furan-2-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamido)methyl]furan-2-carboxylate
ethyl 5-[(2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamido)methyl]furan-2-carboxylate
Compound characteristics
| Compound ID: | 8017-1089 |
| Compound Name: | ethyl 5-[(2-{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamido)methyl]furan-2-carboxylate |
| Molecular Weight: | 461.5 |
| Molecular Formula: | C20 H23 N5 O6 S |
| Smiles: | CCOC(c1ccc(CNC(CSc2nc3c(C(N(C)C(N3C)=O)=O)n2CC=C)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6986 |
| logD: | 2.6986 |
| logSw: | -2.8743 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.331 |
| InChI Key: | NRRPNWUTOJHFNO-UHFFFAOYSA-N |