methyl 1-[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]piperidine-4-carboxylate
Chemical Structure Depiction of
methyl 1-[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]piperidine-4-carboxylate
methyl 1-[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | F216-0214 |
| Compound Name: | methyl 1-[3-(4-chlorophenyl)-5-methyl-2,4-dioxo-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-7-carbonyl]piperidine-4-carboxylate |
| Molecular Weight: | 444.87 |
| Molecular Formula: | C21 H21 Cl N4 O5 |
| Smiles: | Cn1cc(C(N2CCC(CC2)C(=O)OC)=O)c2c1C(N(C(N2)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.181 |
| logD: | 0.3306 |
| logSw: | -2.7621 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.136 |
| InChI Key: | JSNTZXGHJHPHOT-UHFFFAOYSA-N |