ethyl 2-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
ethyl 2-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D365-0195 |
| Compound Name: | ethyl 2-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C18 H19 N3 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CSC1NC(C2CCCC=2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9157 |
| logD: | 1.7005 |
| logSw: | -2.662 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.043 |
| InChI Key: | DDEPGGNBWQLUDW-UHFFFAOYSA-N |