6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
| Compound ID: | J080-0885 |
| Compound Name: | 6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | Cc1cc(c2c(c3ccc(cc3)OC)c3C(N(C)C(N(C)c3[nH]2)=O)=O)c(C)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.711 |
| logD: | 4.711 |
| logSw: | -4.6437 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.048 |
| InChI Key: | QHQSMLHSXPTGDX-UHFFFAOYSA-N |