3-(4-oxo-7-phenyl-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl)propanoic acid
Chemical Structure Depiction of
3-(4-oxo-7-phenyl-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl)propanoic acid
3-(4-oxo-7-phenyl-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl)propanoic acid
Compound characteristics
| Compound ID: | C200-5980 |
| Compound Name: | 3-(4-oxo-7-phenyl-2-sulfanylidene-1,2,4,5-tetrahydro-3H-pyrrolo[3,2-d]pyrimidin-3-yl)propanoic acid |
| Molecular Weight: | 315.35 |
| Molecular Formula: | C15 H13 N3 O3 S |
| Smiles: | C(CN1C(c2c(c(c[nH]2)c2ccccc2)NC1=S)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1075 |
| logD: | -1.4251 |
| logSw: | -2.269 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.445 |
| InChI Key: | QAPJJEUQYDOGPL-UHFFFAOYSA-N |