5-(2,5-dimethoxyphenyl)-2-(4-methoxyanilino)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
5-(2,5-dimethoxyphenyl)-2-(4-methoxyanilino)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
5-(2,5-dimethoxyphenyl)-2-(4-methoxyanilino)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | Y021-2232 |
| Compound Name: | 5-(2,5-dimethoxyphenyl)-2-(4-methoxyanilino)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C23 H21 N5 O5 |
| Smiles: | COc1ccc(cc1)NC1NC(C2C(C(C#N)C(NC=2N=1)=O)c1cc(ccc1OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.105 |
| logD: | 2.0956 |
| logSw: | -3.1775 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.756 |
| InChI Key: | PNJADVVKBMSADT-UHFFFAOYSA-N |