methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | J026-1937 |
| Compound Name: | methyl 3-[2-(azepan-1-yl)-2-oxoethyl]-7-methyl-2,4-dioxo-1-phenyl-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C24 H26 N4 O5 |
| Smiles: | Cc1cc(C(=O)OC)c2C(N(CC(N3CCCCCC3)=O)C(N(c3ccccc3)c2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7711 |
| logD: | 2.7711 |
| logSw: | -3.1352 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.258 |
| InChI Key: | KNMKATLZWQKKHZ-UHFFFAOYSA-N |