5-(4-chlorophenyl)-2-(4-methoxyanilino)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
Chemical Structure Depiction of
5-(4-chlorophenyl)-2-(4-methoxyanilino)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
5-(4-chlorophenyl)-2-(4-methoxyanilino)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile
Compound characteristics
| Compound ID: | Y021-2231 |
| Compound Name: | 5-(4-chlorophenyl)-2-(4-methoxyanilino)-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C21 H16 Cl N5 O3 |
| Smiles: | COc1ccc(cc1)NC1NC(C2C(C(C#N)C(NC=2N=1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5142 |
| logD: | 2.5048 |
| logSw: | -3.5765 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.582 |
| InChI Key: | GQVBSRPLFSCEIG-UHFFFAOYSA-N |