5-(2,5-dimethylthiophen-3-yl)-6-(naphthalen-2-yl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Chemical Structure Depiction of
5-(2,5-dimethylthiophen-3-yl)-6-(naphthalen-2-yl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
5-(2,5-dimethylthiophen-3-yl)-6-(naphthalen-2-yl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione
Compound characteristics
Compound ID: | J080-0230 |
Compound Name: | 5-(2,5-dimethylthiophen-3-yl)-6-(naphthalen-2-yl)-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione |
Molecular Weight: | 387.46 |
Molecular Formula: | C22 H17 N3 O2 S |
Smiles: | Cc1cc(c2c3C(NC(Nc3[nH]c2c2ccc3ccccc3c2)=O)=O)c(C)s1 |
Stereo: | ACHIRAL |
logP: | 4.9754 |
logD: | 4.9754 |
logSw: | -5.5869 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 60.305 |
InChI Key: | JQKUCQBLQSGJBZ-UHFFFAOYSA-N |