2-(4-methoxyanilino)-4,7-dioxo-5-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
2-(4-methoxyanilino)-4,7-dioxo-5-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
2-(4-methoxyanilino)-4,7-dioxo-5-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | Y021-2037 |
| Compound Name: | 2-(4-methoxyanilino)-4,7-dioxo-5-phenyl-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 387.4 |
| Molecular Formula: | C21 H17 N5 O3 |
| Smiles: | COc1ccc(cc1)NC1NC(C2C(C(C#N)C(NC=2N=1)=O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9238 |
| logD: | 1.9144 |
| logSw: | -2.4428 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.582 |
| InChI Key: | KGFZQAXZKULVJQ-UHFFFAOYSA-N |