5-(2,5-dimethylthiophen-3-yl)-6-phenyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
5-(2,5-dimethylthiophen-3-yl)-6-phenyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
5-(2,5-dimethylthiophen-3-yl)-6-phenyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | J080-0228 |
| Compound Name: | 5-(2,5-dimethylthiophen-3-yl)-6-phenyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 337.4 |
| Molecular Formula: | C18 H15 N3 O2 S |
| Smiles: | Cc1cc(c2c3C(NC(Nc3[nH]c2c2ccccc2)=O)=O)c(C)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.6532 |
| logD: | 3.6532 |
| logSw: | -4.2305 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.577 |
| InChI Key: | NWUOCYGOSHJTFJ-UHFFFAOYSA-N |