methyl 3-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 3-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 3-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | D365-0191 |
| Compound Name: | methyl 3-{2-[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C17 H17 N3 O4 S |
| Smiles: | COC(c1cccc(c1)NC(CSC1NC(C2CCCC=2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9188 |
| logD: | 1.7036 |
| logSw: | -2.6809 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.161 |
| InChI Key: | UOSGXIWBSCLRJC-UHFFFAOYSA-N |